1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one

C10H13NO4 — CID 19047332

IUPAC1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one
SMILESO=c1ccccn1C1CC(O)C(O)C1O
InChIInChI=1S/C10H13NO4/c12-7-5-6(9(14)10(7)15)11-4-2-1-3-8(11)13/h1-4,6-7,9-10,12,14-15H,5H2
InChIKeyAIKZMEVOSFFNOX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.12
Rot. Bonds1

About 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one

1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one (PubChem CID 19047332) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one
PubChem CID19047332
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one
SMILESO=c1ccccn1C1CC(O)C(O)C1O
InChIInChI=1S/C10H13NO4/c12-7-5-6(9(14)10(7)15)11-4-2-1-3-8(11)13/h1-4,6-7,9-10,12,14-15H,5H2
InChIKeyAIKZMEVOSFFNOX-UHFFFAOYSA-N
XLogP-1.12
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2,3,4-trihydroxycyclopentyl)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 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one?
The IUPAC name of 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one (CID 19047332) is 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one.
What is the SMILES notation for 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one?
The canonical SMILES for 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one is O=c1ccccn1C1CC(O)C(O)C1O.
What is the InChIKey of 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one?
The InChIKey is AIKZMEVOSFFNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-7-5-6(9(14)10(7)15)11-4-2-1-3-8(11)13/h1-4,6-7,9-10,12,14-15H,5H2.
What are the key properties of 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one?
1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one has a molecular weight of 211.22 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trihydroxycyclopentyl)pyridin-2-one is sourced from PubChem (CID 19047332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).