4-[(dimethylamino)methyl]-1H-pyridin-2-one

C8H12N2O — CID 13463821

IUPAC4-[(dimethylamino)methyl]-1H-pyridin-2-one
SMILESCN(C)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C8H12N2O/c1-10(2)6-7-3-4-9-8(11)5-7/h3-5H,6H2,1-2H3,(H,9,11)
InChIKeyUJAROFFWJWGZPD-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.44
Rot. Bonds2

About 4-[(dimethylamino)methyl]-1H-pyridin-2-one

4-[(dimethylamino)methyl]-1H-pyridin-2-one (PubChem CID 13463821) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1H-pyridin-2-one
PubChem CID13463821
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-[(dimethylamino)methyl]-1H-pyridin-2-one
SMILESCN(C)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C8H12N2O/c1-10(2)6-7-3-4-9-8(11)5-7/h3-5H,6H2,1-2H3,(H,9,11)
InChIKeyUJAROFFWJWGZPD-UHFFFAOYSA-N
XLogP0.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(dimethylamino)methyl]-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 4-[(dimethylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(dimethylamino)methyl]-1H-pyridin-2-one (CID 13463821) is 4-[(dimethylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(dimethylamino)methyl]-1H-pyridin-2-one is CN(C)Cc1cc[nH]c(=O)c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1H-pyridin-2-one?
The InChIKey is UJAROFFWJWGZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10(2)6-7-3-4-9-8(11)5-7/h3-5H,6H2,1-2H3,(H,9,11).
What are the key properties of 4-[(dimethylamino)methyl]-1H-pyridin-2-one?
4-[(dimethylamino)methyl]-1H-pyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 13463821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).