4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen

C7H11NO — CID 145360200

IUPAC4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen
SMILESCc1c[nH]c(=O)cc1C.[H][H]
InChIInChI=1S/C7H9NO.H2/c1-5-3-7(9)8-4-6(5)2;/h3-4H,1-2H3,(H,8,9);1H
InChIKeyZSPLOAYBMPYRQI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.24
Rot. Bonds

About 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen

4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen (PubChem CID 145360200) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen
PubChem CID145360200
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen
SMILESCc1c[nH]c(=O)cc1C.[H][H]
InChIInChI=1S/C7H9NO.H2/c1-5-3-7(9)8-4-6(5)2;/h3-4H,1-2H3,(H,8,9);1H
InChIKeyZSPLOAYBMPYRQI-UHFFFAOYSA-N
XLogP1.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-4-methyl-1H-pyridin-2-one
CID 46739797
5-(chloromethyl)-4-methyl-1H-pyridin-2-one
CID 102545705
4-methyl-5-(methylaminomethyl)-1H-pyridin-2-one
CID 102545713
4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092712
5-(3,5-dichlorophenyl)-4-methyl-1H-pyridin-2-one
CID 133092874
ethane;5-methyl-1H-pyridin-2-one;molecular hydrogen
CID 171659448
5-(3,4-dimethylphenyl)-1H-pyridin-2-one
CID 90292651
5-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methyl-1H-pyridin-2-one
CID 130855583
3-(4-methyl-6-oxo-1H-pyridin-3-yl)prop-2-enenitrile
CID 169483269
4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863
5-(1,2-dihydroxy-3-sulfanylpropyl)-4-methyl-1H-pyridin-2-one
CID 170819667
(2R)-2-bromo-4-methylpentanoic acid;(2S)-2-(4,5-dimethyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid;4,5-dimethyl-1H-pyridin-2-one;methane
CID 158678513

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen?
The IUPAC name of 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen (CID 145360200) is 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen.
What is the SMILES notation for 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen?
The canonical SMILES for 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen is Cc1c[nH]c(=O)cc1C.[H][H].
What is the InChIKey of 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen?
The InChIKey is ZSPLOAYBMPYRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.H2/c1-5-3-7(9)8-4-6(5)2;/h3-4H,1-2H3,(H,8,9);1H.
What are the key properties of 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen?
4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen has a molecular weight of 125.17 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyridin-2-one;molecular hydrogen is sourced from PubChem (CID 145360200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).