3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile

C5H4N2O2 — CID 54718169

IUPAC3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile
SMILESN#CC1=C(O)CNC1=O
InChIInChI=1S/C5H4N2O2/c6-1-3-4(8)2-7-5(3)9/h8H,2H2,(H,7,9)
InChIKeyGYMIEHKBQRAQAK-UHFFFAOYSA-N
MW124.10 g/mol
LogP-0.55
Rot. Bonds

About 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile

3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile (PubChem CID 54718169) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile
PubChem CID54718169
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile
SMILESN#CC1=C(O)CNC1=O
InChIInChI=1S/C5H4N2O2/c6-1-3-4(8)2-7-5(3)9/h8H,2H2,(H,7,9)
InChIKeyGYMIEHKBQRAQAK-UHFFFAOYSA-N
XLogP-0.55
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-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 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile?
The IUPAC name of 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile (CID 54718169) is 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile.
What is the SMILES notation for 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile?
The canonical SMILES for 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile is N#CC1=C(O)CNC1=O.
What is the InChIKey of 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile?
The InChIKey is GYMIEHKBQRAQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c6-1-3-4(8)2-7-5(3)9/h8H,2H2,(H,7,9).
What are the key properties of 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile?
3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile has a molecular weight of 124.10 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carbonitrile is sourced from PubChem (CID 54718169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).