1-(2,4,4-trimethylpentyl)pyridin-2-one

C13H21NO — CID 68902534

IUPAC1-(2,4,4-trimethylpentyl)pyridin-2-one
SMILESCC(Cn1ccccc1=O)CC(C)(C)C
InChIInChI=1S/C13H21NO/c1-11(9-13(2,3)4)10-14-8-6-5-7-12(14)15/h5-8,11H,9-10H2,1-4H3
InChIKeyNNGAOWIGWWRQIJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds3

About 1-(2,4,4-trimethylpentyl)pyridin-2-one

1-(2,4,4-trimethylpentyl)pyridin-2-one (PubChem CID 68902534) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,4,4-trimethylpentyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,4,4-trimethylpentyl)pyridin-2-one
PubChem CID68902534
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,4,4-trimethylpentyl)pyridin-2-one
SMILESCC(Cn1ccccc1=O)CC(C)(C)C
InChIInChI=1S/C13H21NO/c1-11(9-13(2,3)4)10-14-8-6-5-7-12(14)15/h5-8,11H,9-10H2,1-4H3
InChIKeyNNGAOWIGWWRQIJ-UHFFFAOYSA-N
XLogP2.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylpentyl)pyridin-2-one?
The IUPAC name of 1-(2,4,4-trimethylpentyl)pyridin-2-one (CID 68902534) is 1-(2,4,4-trimethylpentyl)pyridin-2-one.
What is the SMILES notation for 1-(2,4,4-trimethylpentyl)pyridin-2-one?
The canonical SMILES for 1-(2,4,4-trimethylpentyl)pyridin-2-one is CC(Cn1ccccc1=O)CC(C)(C)C.
What is the InChIKey of 1-(2,4,4-trimethylpentyl)pyridin-2-one?
The InChIKey is NNGAOWIGWWRQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(9-13(2,3)4)10-14-8-6-5-7-12(14)15/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-(2,4,4-trimethylpentyl)pyridin-2-one?
1-(2,4,4-trimethylpentyl)pyridin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylpentyl)pyridin-2-one is sourced from PubChem (CID 68902534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).