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

C12H13NO — CID 19761155

IUPAC1-benzyl-2,4-dihydropyridin-3-one
SMILESO=C1CC=CN(Cc2ccccc2)C1
InChIInChI=1S/C12H13NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-6,8H,7,9-10H2
InChIKeyHLDSXRABZRDPBF-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.98
Rot. Bonds2

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

1-benzyl-2,4-dihydropyridin-3-one (PubChem CID 19761155) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-benzyl-2,4-dihydropyridin-3-one.

Molecular Properties

Compound Name1-benzyl-2,4-dihydropyridin-3-one
PubChem CID19761155
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-benzyl-2,4-dihydropyridin-3-one
SMILESO=C1CC=CN(Cc2ccccc2)C1
InChIInChI=1S/C12H13NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-6,8H,7,9-10H2
InChIKeyHLDSXRABZRDPBF-UHFFFAOYSA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,4-dihydropyridin-3-imine
CID 56995867
1-benzyl-5-methyl-2,4-dihydropyridin-3-one
CID 91446287
1-benzyl-2H-pyridine-3-carboxylic acid
CID 18410440
1-benzyl-2-phenyl-2,4-dihydropyridin-3-one
CID 159923351
1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
CID 162060855
2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide
CID 173446350
2-benzyl-1,2-thiazolidin-4-one
CID 134182902
8-benzyl-6,7-dihydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 69304370
3-benzyl-1,2-dihydroimidazole
CID 67392024
1-benzyl-3-methyl-2H-imidazole
CID 18674614
1-benzylpiperidin-3-one;hydrate
CID 144851326
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
CID 58478707

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4-dihydropyridin-3-one?
The IUPAC name of 1-benzyl-2,4-dihydropyridin-3-one (CID 19761155) is 1-benzyl-2,4-dihydropyridin-3-one.
What is the SMILES notation for 1-benzyl-2,4-dihydropyridin-3-one?
The canonical SMILES for 1-benzyl-2,4-dihydropyridin-3-one is O=C1CC=CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-2,4-dihydropyridin-3-one?
The InChIKey is HLDSXRABZRDPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-6,8H,7,9-10H2.
What are the key properties of 1-benzyl-2,4-dihydropyridin-3-one?
1-benzyl-2,4-dihydropyridin-3-one has a molecular weight of 187.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4-dihydropyridin-3-one is sourced from PubChem (CID 19761155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).