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Home > Indoles and Oxindole > 69397-85-9
69397-85-9 | 1H-Indole-3-propanamide, N-methyl-
CAS No: 69397-85-9 Catalog No: AG005ZZU MDL No:
Product Description
Catalog Number:
AG005ZZU
Chemical Name:
1H-Indole-3-propanamide, N-methyl-
CAS Number:
69397-85-9
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
3-(1H-indol-3-yl)-N-methylpropanamide
InChI:
InChI=1S/C12H14N2O/c1-13-12(15)7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChI Key:
YRFPBFOOZPGAAH-UHFFFAOYSA-N
SMILES:
CNC(=O)CCc1c[nH]c2c1cccc2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Isosteric probes provide structural requirements essential for detoxification of the phytoalexin brassinin by the fungal pathogen Leptosphaeria maculans. | Bioorganic & medicinal chemistry 20070915 |
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