3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one

C21H15NO2 — CID 949215

IUPAC3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one
SMILESCC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H15NO2/c1-12-17(13(2)23)18(14-8-4-3-5-9-14)19-20(22-12)15-10-6-7-11-16(15)21(19)24/h3-11H,1-2H3
InChIKeyOTFPGRZRXLVTCV-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.47
Rot. Bonds2

About 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one

3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one (PubChem CID 949215) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one
PubChem CID949215
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one
SMILESCC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H15NO2/c1-12-17(13(2)23)18(14-8-4-3-5-9-14)19-20(22-12)15-10-6-7-11-16(15)21(19)24/h3-11H,1-2H3
InChIKeyOTFPGRZRXLVTCV-UHFFFAOYSA-N
XLogP4.47
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535
3-amino-9-oxo-1-phenylindeno[2,1-c]pyridine-4-carboxylic acid
CID 11631073
4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 171985433
10-(4-bromophenyl)indeno[1,2-b]quinolin-11-one
CID 153437761
methyl 4-(3-bromoanilino)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carboxylate
CID 10025302
3-acetyl-1-methylbenzo[f]indazole-4,9-dione
CID 101064119
1-acetyl-2-methyl-3H-benzo[e]indole-4,5-dione
CID 13177326
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
CID 102410586
4-(4-heptylphenyl)-2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
CID 3560873
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone;1-(2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridin-5-yl)ethanone
CID 157425406

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one (CID 949215) is 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one is CC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)c1ccccc1-2.
What is the InChIKey of 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one?
The InChIKey is OTFPGRZRXLVTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-12-17(13(2)23)18(14-8-4-3-5-9-14)19-20(22-12)15-10-6-7-11-16(15)21(19)24/h3-11H,1-2H3.
What are the key properties of 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one?
3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one has a molecular weight of 313.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methyl-4-phenylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 949215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).