6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one

C13H21NO — CID 19800564

IUPAC6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one
SMILESCC(Cc1cccc(=O)[nH]1)CC(C)(C)C
InChIInChI=1S/C13H21NO/c1-10(9-13(2,3)4)8-11-6-5-7-12(15)14-11/h5-7,10H,8-9H2,1-4H3,(H,14,15)
InChIKeyZWYIJAODXAWSBE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.99
Rot. Bonds3

About 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one

6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one (PubChem CID 19800564) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one
PubChem CID19800564
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one
SMILESCC(Cc1cccc(=O)[nH]1)CC(C)(C)C
InChIInChI=1S/C13H21NO/c1-10(9-13(2,3)4)8-11-6-5-7-12(15)14-11/h5-7,10H,8-9H2,1-4H3,(H,14,15)
InChIKeyZWYIJAODXAWSBE-UHFFFAOYSA-N
XLogP2.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one (CID 19800564) is 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one is CC(Cc1cccc(=O)[nH]1)CC(C)(C)C.
What is the InChIKey of 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one?
The InChIKey is ZWYIJAODXAWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(9-13(2,3)4)8-11-6-5-7-12(15)14-11/h5-7,10H,8-9H2,1-4H3,(H,14,15).
What are the key properties of 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one?
6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one is sourced from PubChem (CID 19800564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).