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

C21H17NO2 — CID 2817301

IUPAC3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C21H17NO2/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/h3-11,18,22H,1-2H3
InChIKeyHPIIQBIZUYHMQI-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.84
Rot. Bonds2

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

3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one (PubChem CID 2817301) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
PubChem CID2817301
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C21H17NO2/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/h3-11,18,22H,1-2H3
InChIKeyHPIIQBIZUYHMQI-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one (CID 2817301) is 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one is CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1.
What is the InChIKey of 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The InChIKey is HPIIQBIZUYHMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/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/h3-11,18,22H,1-2H3.
What are the key properties of 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one has a molecular weight of 315.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methyl-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 2817301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).