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Home > Indoles and Oxindole > 5541-89-9
5541-89-9 | 2-Butanone, 4-(1H-indol-3-yl)-
CAS No: 5541-89-9 Catalog No: AG00I9VW MDL No:MFCD00047198
Product Description
Catalog Number:
AG00I9VW
Chemical Name:
2-Butanone, 4-(1H-indol-3-yl)-
CAS Number:
5541-89-9
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD00047198
IUPAC Name:
4-(1H-indol-3-yl)butan-2-one
InChI:
InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
InChI Key:
ZJCUUXGLZWBCIL-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1c[nH]c2c1cccc2
NSC Number:
60564
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Prenylation of a nonaromatic carbon of indolylbutenone by a fungal indole prenyltransferase. | Organic letters 20120615 |
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