2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C12H13N3O2 — CID 112737092

IUPAC2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CC(O)CO1)CCC2
InChIInChI=1S/C12H13N3O2/c13-5-9-4-8-2-1-3-11(8)14-12(9)15-6-10(16)7-17-15/h4,10,16H,1-3,6-7H2
InChIKeyNWZFTFVDZOCOHG-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.55
Rot. Bonds1

About 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 112737092) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID112737092
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CC(O)CO1)CCC2
InChIInChI=1S/C12H13N3O2/c13-5-9-4-8-2-1-3-11(8)14-12(9)15-6-10(16)7-17-15/h4,10,16H,1-3,6-7H2
InChIKeyNWZFTFVDZOCOHG-UHFFFAOYSA-N
XLogP0.55
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 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 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 112737092) is 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1N1CC(O)CO1)CCC2.
What is the InChIKey of 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NWZFTFVDZOCOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-5-9-4-8-2-1-3-11(8)14-12(9)15-6-10(16)7-17-15/h4,10,16H,1-3,6-7H2.
What are the key properties of 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 231.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,2-oxazolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 112737092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).