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Home > Indoles and Oxindole > 1504-06-9
1504-06-9 | 2H-Indol-2-one, 1,3-dihydro-3-methyl-
CAS No: 1504-06-9 Catalog No: AG001ML4 MDL No:MFCD04037370
Product Description
Catalog Number:
AG001ML4
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-methyl-
CAS Number:
1504-06-9
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD04037370
IUPAC Name:
3-methyl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)
InChI Key:
BBZCPUCZKLTAJQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1C)cccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Respective roles of CYP2A5 and CYP2F2 in the bioactivation of 3-methylindole in mouse olfactory mucosa and lung: studies using Cyp2a5-null and Cyp2f2-null mouse models. | Drug metabolism and disposition: the biological fate of chemicals 20120401 |
| The pneumotoxin 3-methylindole is a substrate and a mechanism-based inactivator of CYP2A13, a human cytochrome P450 enzyme preferentially expressed in the respiratory tract. | Drug metabolism and disposition: the biological fate of chemicals 20091001 |
| Porcine CYP2A19, CYP2E1 and CYP1A2 forms are responsible for skatole biotransformation in the reconstituted system. | Neuro endocrinology letters 20090101 |
| Unbiased high-throughput screening of reactive metabolites on the linear ion trap mass spectrometer using polarity switch and mass tag triggered data-dependent acquisition. | Analytical chemistry 20080815 |
| Palladium-catalyzed alpha-vinylation of carbonyl compounds. | Organic letters 20071011 |
| Metabolism and bioactivation of 3-methylindole by human liver microsomes. | Chemical research in toxicology 20070101 |
| The role of CYP2A and CYP2E1 in the metabolism of 3-methylindole in primary cultured porcine hepatocytes. | Drug metabolism and disposition: the biological fate of chemicals 20060501 |
| Phase II in vitro metabolism of 3-methylindole metabolites in porcine liver. | Xenobiotica; the fate of foreign compounds in biological systems 20030501 |
| Selective dehydrogenation/oxygenation of 3-methylindole by cytochrome p450 enzymes. | Drug metabolism and disposition: the biological fate of chemicals 20010701 |
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