1-(1-methyl-3-phenylindol-2-yl)ethanone

C17H15NO — CID 83919736

IUPAC1-(1-methyl-3-phenylindol-2-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C17H15NO/c1-12(19)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(17)2/h3-11H,1-2H3
InChIKeyDNCAFDDMLCULAJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.05
Rot. Bonds2

About 1-(1-methyl-3-phenylindol-2-yl)ethanone

1-(1-methyl-3-phenylindol-2-yl)ethanone (PubChem CID 83919736) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1-methyl-3-phenylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-3-phenylindol-2-yl)ethanone
PubChem CID83919736
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-(1-methyl-3-phenylindol-2-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C17H15NO/c1-12(19)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(17)2/h3-11H,1-2H3
InChIKeyDNCAFDDMLCULAJ-UHFFFAOYSA-N
XLogP4.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenylindole-2-carboxamide
CID 22037826
1-methyl-2,3-diphenylindole
CID 11426096
2-iodo-1-methyl-3-phenylindole
CID 76846489
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 15075780
N-(1H-imidazol-5-ylmethylideneamino)-1-methyl-3-phenylindole-2-carboxamide
CID 173259363
1-(2-tert-butyl-1-methylindol-3-yl)ethanone
CID 101348045
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-phenylindol-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-3-phenylindol-2-yl)ethanone (CID 83919736) is 1-(1-methyl-3-phenylindol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-3-phenylindol-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-3-phenylindol-2-yl)ethanone is CC(=O)c1c(-c2ccccc2)c2ccccc2n1C.
What is the InChIKey of 1-(1-methyl-3-phenylindol-2-yl)ethanone?
The InChIKey is DNCAFDDMLCULAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12(19)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(17)2/h3-11H,1-2H3.
What are the key properties of 1-(1-methyl-3-phenylindol-2-yl)ethanone?
1-(1-methyl-3-phenylindol-2-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-phenylindol-2-yl)ethanone is sourced from PubChem (CID 83919736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).