1-(3,3-dimethylbutyl)pyridin-2-one

C11H17NO — CID 21388047

IUPAC1-(3,3-dimethylbutyl)pyridin-2-one
SMILESCC(C)(C)CCn1ccccc1=O
InChIInChI=1S/C11H17NO/c1-11(2,3)7-9-12-8-5-4-6-10(12)13/h4-6,8H,7,9H2,1-3H3
InChIKeyWWECCMKWEVSXFX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.28
Rot. Bonds2

About 1-(3,3-dimethylbutyl)pyridin-2-one

1-(3,3-dimethylbutyl)pyridin-2-one (PubChem CID 21388047) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)pyridin-2-one
PubChem CID21388047
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(3,3-dimethylbutyl)pyridin-2-one
SMILESCC(C)(C)CCn1ccccc1=O
InChIInChI=1S/C11H17NO/c1-11(2,3)7-9-12-8-5-4-6-10(12)13/h4-6,8H,7,9H2,1-3H3
InChIKeyWWECCMKWEVSXFX-UHFFFAOYSA-N
XLogP2.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)pyridin-2-one?
The IUPAC name of 1-(3,3-dimethylbutyl)pyridin-2-one (CID 21388047) is 1-(3,3-dimethylbutyl)pyridin-2-one.
What is the SMILES notation for 1-(3,3-dimethylbutyl)pyridin-2-one?
The canonical SMILES for 1-(3,3-dimethylbutyl)pyridin-2-one is CC(C)(C)CCn1ccccc1=O.
What is the InChIKey of 1-(3,3-dimethylbutyl)pyridin-2-one?
The InChIKey is WWECCMKWEVSXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)7-9-12-8-5-4-6-10(12)13/h4-6,8H,7,9H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)pyridin-2-one?
1-(3,3-dimethylbutyl)pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)pyridin-2-one is sourced from PubChem (CID 21388047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).