1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one

C13H21NO — CID 123825335

IUPAC1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one
SMILESCc1cc(CCCC(C)C)n(C)c(=O)c1
InChIInChI=1S/C13H21NO/c1-10(2)6-5-7-12-8-11(3)9-13(15)14(12)4/h8-10H,5-7H2,1-4H3
InChIKeyPFVDQFWMBAVXSN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds4

About 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one

1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one (PubChem CID 123825335) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one
PubChem CID123825335
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one
SMILESCc1cc(CCCC(C)C)n(C)c(=O)c1
InChIInChI=1S/C13H21NO/c1-10(2)6-5-7-12-8-11(3)9-13(15)14(12)4/h8-10H,5-7H2,1-4H3
InChIKeyPFVDQFWMBAVXSN-UHFFFAOYSA-N
XLogP2.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one?
The IUPAC name of 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one (CID 123825335) is 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one?
The canonical SMILES for 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one is Cc1cc(CCCC(C)C)n(C)c(=O)c1.
What is the InChIKey of 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one?
The InChIKey is PFVDQFWMBAVXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)6-5-7-12-8-11(3)9-13(15)14(12)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one?
1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-(4-methylpentyl)pyridin-2-one is sourced from PubChem (CID 123825335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).