6-propan-2-yl-3H-pyridin-2-one

C8H11NO — CID 118968929

IUPAC6-propan-2-yl-3H-pyridin-2-one
SMILESCC(C)C1=NC(=O)CC=C1
InChIInChI=1S/C8H11NO/c1-6(2)7-4-3-5-8(10)9-7/h3-4,6H,5H2,1-2H3
InChIKeyDASDKYSHJLOENB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.57
Rot. Bonds1

About 6-propan-2-yl-3H-pyridin-2-one

6-propan-2-yl-3H-pyridin-2-one (PubChem CID 118968929) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-propan-2-yl-3H-pyridin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-3H-pyridin-2-one
PubChem CID118968929
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-propan-2-yl-3H-pyridin-2-one
SMILESCC(C)C1=NC(=O)CC=C1
InChIInChI=1S/C8H11NO/c1-6(2)7-4-3-5-8(10)9-7/h3-4,6H,5H2,1-2H3
InChIKeyDASDKYSHJLOENB-UHFFFAOYSA-N
XLogP1.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-propan-2-yl-3H-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-propan-2-yl-3H-pyridin-2-one?
The IUPAC name of 6-propan-2-yl-3H-pyridin-2-one (CID 118968929) is 6-propan-2-yl-3H-pyridin-2-one.
What is the SMILES notation for 6-propan-2-yl-3H-pyridin-2-one?
The canonical SMILES for 6-propan-2-yl-3H-pyridin-2-one is CC(C)C1=NC(=O)CC=C1.
What is the InChIKey of 6-propan-2-yl-3H-pyridin-2-one?
The InChIKey is DASDKYSHJLOENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)7-4-3-5-8(10)9-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-propan-2-yl-3H-pyridin-2-one?
6-propan-2-yl-3H-pyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3H-pyridin-2-one is sourced from PubChem (CID 118968929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).