3-methyl-1-(3-methylbutyl)pyridin-2-one

C11H17NO — CID 59562300

IUPAC3-methyl-1-(3-methylbutyl)pyridin-2-one
SMILESCc1cccn(CCC(C)C)c1=O
InChIInChI=1S/C11H17NO/c1-9(2)6-8-12-7-4-5-10(3)11(12)13/h4-5,7,9H,6,8H2,1-3H3
InChIKeyURPSNAXJCNELPQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds3

About 3-methyl-1-(3-methylbutyl)pyridin-2-one

3-methyl-1-(3-methylbutyl)pyridin-2-one (PubChem CID 59562300) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutyl)pyridin-2-one
PubChem CID59562300
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-methyl-1-(3-methylbutyl)pyridin-2-one
SMILESCc1cccn(CCC(C)C)c1=O
InChIInChI=1S/C11H17NO/c1-9(2)6-8-12-7-4-5-10(3)11(12)13/h4-5,7,9H,6,8H2,1-3H3
InChIKeyURPSNAXJCNELPQ-UHFFFAOYSA-N
XLogP2.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbutyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(3-methylbutyl)pyridin-2-one (CID 59562300) is 3-methyl-1-(3-methylbutyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(3-methylbutyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(3-methylbutyl)pyridin-2-one is Cc1cccn(CCC(C)C)c1=O.
What is the InChIKey of 3-methyl-1-(3-methylbutyl)pyridin-2-one?
The InChIKey is URPSNAXJCNELPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)6-8-12-7-4-5-10(3)11(12)13/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylbutyl)pyridin-2-one?
3-methyl-1-(3-methylbutyl)pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutyl)pyridin-2-one is sourced from PubChem (CID 59562300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).