1-methyl-4-phenyl-2,5-dihydropyridin-6-one

C12H13NO — CID 10631437

IUPAC1-methyl-4-phenyl-2,5-dihydropyridin-6-one
SMILESCN1CC=C(c2ccccc2)CC1=O
InChIInChI=1S/C12H13NO/c1-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3
InChIKeyONDDOFQXDGZVTR-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.93
Rot. Bonds1

About 1-methyl-4-phenyl-2,5-dihydropyridin-6-one

1-methyl-4-phenyl-2,5-dihydropyridin-6-one (PubChem CID 10631437) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-methyl-4-phenyl-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-2,5-dihydropyridin-6-one
PubChem CID10631437
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-methyl-4-phenyl-2,5-dihydropyridin-6-one
SMILESCN1CC=C(c2ccccc2)CC1=O
InChIInChI=1S/C12H13NO/c1-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3
InChIKeyONDDOFQXDGZVTR-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-2,5-dihydropyridin-6-one?
The IUPAC name of 1-methyl-4-phenyl-2,5-dihydropyridin-6-one (CID 10631437) is 1-methyl-4-phenyl-2,5-dihydropyridin-6-one.
What is the SMILES notation for 1-methyl-4-phenyl-2,5-dihydropyridin-6-one?
The canonical SMILES for 1-methyl-4-phenyl-2,5-dihydropyridin-6-one is CN1CC=C(c2ccccc2)CC1=O.
What is the InChIKey of 1-methyl-4-phenyl-2,5-dihydropyridin-6-one?
The InChIKey is ONDDOFQXDGZVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3.
What are the key properties of 1-methyl-4-phenyl-2,5-dihydropyridin-6-one?
1-methyl-4-phenyl-2,5-dihydropyridin-6-one has a molecular weight of 187.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-2,5-dihydropyridin-6-one is sourced from PubChem (CID 10631437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).