2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one

C12H13NO — CID 57274969

IUPAC2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one
SMILESCc1ccc(C2NCC=CC2=O)cc1
InChIInChI=1S/C12H13NO/c1-9-4-6-10(7-5-9)12-11(14)3-2-8-13-12/h2-7,12-13H,8H2,1H3
InChIKeyOAQJYCMOVKSWQI-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.76
Rot. Bonds1

About 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one

2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one (PubChem CID 57274969) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one
PubChem CID57274969
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one
SMILESCc1ccc(C2NCC=CC2=O)cc1
InChIInChI=1S/C12H13NO/c1-9-4-6-10(7-5-9)12-11(14)3-2-8-13-12/h2-7,12-13H,8H2,1H3
InChIKeyOAQJYCMOVKSWQI-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one?
The IUPAC name of 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one (CID 57274969) is 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one.
What is the SMILES notation for 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one?
The canonical SMILES for 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one is Cc1ccc(C2NCC=CC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one?
The InChIKey is OAQJYCMOVKSWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-4-6-10(7-5-9)12-11(14)3-2-8-13-12/h2-7,12-13H,8H2,1H3.
What are the key properties of 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one?
2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one has a molecular weight of 187.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2,6-dihydro-1H-pyridin-3-one is sourced from PubChem (CID 57274969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).