1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one

C15H19NO — CID 12787406

IUPAC1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one
SMILESCC(C)C1CC(=O)C=CN1Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-12(2)15-10-14(17)8-9-16(15)11-13-6-4-3-5-7-13/h3-9,12,15H,10-11H2,1-2H3
InChIKeyFSDMCWWAUFQTDF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.00
Rot. Bonds3

About 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one

1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one (PubChem CID 12787406) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one
PubChem CID12787406
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one
SMILESCC(C)C1CC(=O)C=CN1Cc1ccccc1
InChIInChI=1S/C15H19NO/c1-12(2)15-10-14(17)8-9-16(15)11-13-6-4-3-5-7-13/h3-9,12,15H,10-11H2,1-2H3
InChIKeyFSDMCWWAUFQTDF-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3-dihydropyridin-4-one
CID 15310236
1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one
CID 11106752
tert-butyl N-[(1S)-1-[(2R)-1-benzyl-4-oxo-2,3-dihydropyridin-2-yl]-2-hydroxyethyl]carbamate
CID 11824172
1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 10956806
(5R)-1-benzyl-5-propan-2-ylpyrazolidin-3-one
CID 102075289
(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one
CID 100967043
2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane
CID 144683049
(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one
CID 131860745
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
CID 97290469
3-benzyl-1-(2,5-dichlorophenyl)-4-propan-2-ylimidazolidin-2-one
CID 24968350
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one (CID 12787406) is 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one is CC(C)C1CC(=O)C=CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one?
The InChIKey is FSDMCWWAUFQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12(2)15-10-14(17)8-9-16(15)11-13-6-4-3-5-7-13/h3-9,12,15H,10-11H2,1-2H3.
What are the key properties of 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one?
1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one has a molecular weight of 229.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 12787406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).