(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one

C6H9NO — CID 89024010

IUPAC(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one
SMILESC[C@@H]1C=NC(=O)CC1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(8)7-4-5/h4-5H,2-3H2,1H3/t5-/m0/s1
InChIKeyLZHGROMPMDYHLA-YFKPBYRVSA-N
MW111.14 g/mol
LogP1.01
Rot. Bonds

About (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one

(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one (PubChem CID 89024010) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one
PubChem CID89024010
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one
SMILESC[C@@H]1C=NC(=O)CC1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(8)7-4-5/h4-5H,2-3H2,1H3/t5-/m0/s1
InChIKeyLZHGROMPMDYHLA-YFKPBYRVSA-N
XLogP1.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S)-5-methyl-4,5-dihydro-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 (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one?
The IUPAC name of (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one (CID 89024010) is (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one.
What is the SMILES notation for (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one?
The canonical SMILES for (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one is C[C@@H]1C=NC(=O)CC1.
What is the InChIKey of (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one?
The InChIKey is LZHGROMPMDYHLA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-3-6(8)7-4-5/h4-5H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one?
(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one has a molecular weight of 111.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one is sourced from PubChem (CID 89024010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).