1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde

C17H17NO2 — CID 82521060

IUPAC1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)n(C2CCCC2)c1=O
InChIInChI=1S/C17H17NO2/c19-12-14-10-11-16(13-6-2-1-3-7-13)18(17(14)20)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2
InChIKeyAIIYETAQBVUDGN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.44
Rot. Bonds3

About 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde

1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde (PubChem CID 82521060) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde
PubChem CID82521060
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)n(C2CCCC2)c1=O
InChIInChI=1S/C17H17NO2/c19-12-14-10-11-16(13-6-2-1-3-7-13)18(17(14)20)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2
InChIKeyAIIYETAQBVUDGN-UHFFFAOYSA-N
XLogP3.44
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde
CID 82521197
3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one
CID 82521184
6-cyclododecylbenzo[d][2]benzazepine-5,7-dione
CID 4990028
3-amino-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
CID 82466930
5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde
CID 86623638
4-cyclobutyl-3,5-diphenyl-1,2,4-triazole
CID 10612456
3-amino-1-cyclohexyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82466859
3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
CID 82519443
3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735055
3-cyclopropyl-4-phenyl-1H-imidazol-2-one
CID 57455732
1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole
CID 82085166
3-(aminomethyl)-1-cyclohexyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189598

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde?
The IUPAC name of 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde (CID 82521060) is 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde.
What is the SMILES notation for 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde?
The canonical SMILES for 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde is O=Cc1ccc(-c2ccccc2)n(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde?
The InChIKey is AIIYETAQBVUDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-12-14-10-11-16(13-6-2-1-3-7-13)18(17(14)20)15-8-4-5-9-15/h1-3,6-7,10-12,15H,4-5,8-9H2.
What are the key properties of 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde?
1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde is sourced from PubChem (CID 82521060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).