1,3-dimethyl-4-phenylpyridin-2-one

C13H13NO — CID 12730435

IUPAC1,3-dimethyl-4-phenylpyridin-2-one
SMILESCc1c(-c2ccccc2)ccn(C)c1=O
InChIInChI=1S/C13H13NO/c1-10-12(8-9-14(2)13(10)15)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyNRQVAYTZXNYRJU-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.36
Rot. Bonds1

About 1,3-dimethyl-4-phenylpyridin-2-one

1,3-dimethyl-4-phenylpyridin-2-one (PubChem CID 12730435) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1,3-dimethyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-phenylpyridin-2-one
PubChem CID12730435
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1,3-dimethyl-4-phenylpyridin-2-one
SMILESCc1c(-c2ccccc2)ccn(C)c1=O
InChIInChI=1S/C13H13NO/c1-10-12(8-9-14(2)13(10)15)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyNRQVAYTZXNYRJU-UHFFFAOYSA-N
XLogP2.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-phenylpyridin-2-one?
The IUPAC name of 1,3-dimethyl-4-phenylpyridin-2-one (CID 12730435) is 1,3-dimethyl-4-phenylpyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-phenylpyridin-2-one?
The canonical SMILES for 1,3-dimethyl-4-phenylpyridin-2-one is Cc1c(-c2ccccc2)ccn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-phenylpyridin-2-one?
The InChIKey is NRQVAYTZXNYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-12(8-9-14(2)13(10)15)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 1,3-dimethyl-4-phenylpyridin-2-one?
1,3-dimethyl-4-phenylpyridin-2-one has a molecular weight of 199.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-phenylpyridin-2-one is sourced from PubChem (CID 12730435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).