1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one

C8H12N2O2 — CID 70562712

IUPAC1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(O)n(C(C)N)c(=O)c1
InChIInChI=1S/C8H12N2O2/c1-5-3-7(11)10(6(2)9)8(12)4-5/h3-4,6,11H,9H2,1-2H3
InChIKeyKPSUOPKTDLYWAC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.34
Rot. Bonds1

About 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one

1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one (PubChem CID 70562712) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one
PubChem CID70562712
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(O)n(C(C)N)c(=O)c1
InChIInChI=1S/C8H12N2O2/c1-5-3-7(11)10(6(2)9)8(12)4-5/h3-4,6,11H,9H2,1-2H3
InChIKeyKPSUOPKTDLYWAC-UHFFFAOYSA-N
XLogP0.34
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-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 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one (CID 70562712) is 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one is Cc1cc(O)n(C(C)N)c(=O)c1.
What is the InChIKey of 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is KPSUOPKTDLYWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-3-7(11)10(6(2)9)8(12)4-5/h3-4,6,11H,9H2,1-2H3.
What are the key properties of 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one?
1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 70562712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).