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

C12H13NO — CID 13275577

IUPAC1-benzyl-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(Cc2ccccc2)CC1
InChIInChI=1S/C12H13NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyLXUKKTTVDKEPTO-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.98
Rot. Bonds2

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

1-benzyl-2,3-dihydropyridin-4-one (PubChem CID 13275577) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-benzyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-benzyl-2,3-dihydropyridin-4-one
PubChem CID13275577
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-benzyl-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(Cc2ccccc2)CC1
InChIInChI=1S/C12H13NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyLXUKKTTVDKEPTO-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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-benzyl-2,3-dihydropyridin-4-one (CID 13275577) is 1-benzyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-benzyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-benzyl-2,3-dihydropyridin-4-one is O=C1C=CN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-2,3-dihydropyridin-4-one?
The InChIKey is LXUKKTTVDKEPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2.
What are the key properties of 1-benzyl-2,3-dihydropyridin-4-one?
1-benzyl-2,3-dihydropyridin-4-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-2,3-dihydropyridin-4-one is sourced from PubChem (CID 13275577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).