3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one

C7H7N3O4 — CID 57074229

IUPAC3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1-c1cc(O)[nH]c1O
InChIInChI=1S/C7H7N3O4/c11-4-1-3(6(13)8-4)10-2-5(12)9-7(10)14/h1-2,8,11-13H,(H,9,14)
InChIKeyIJUKKSXVZGVTCY-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.39
Rot. Bonds1

About 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one

3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one (PubChem CID 57074229) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one
PubChem CID57074229
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1-c1cc(O)[nH]c1O
InChIInChI=1S/C7H7N3O4/c11-4-1-3(6(13)8-4)10-2-5(12)9-7(10)14/h1-2,8,11-13H,(H,9,14)
InChIKeyIJUKKSXVZGVTCY-UHFFFAOYSA-N
XLogP-0.39
TPSA114.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-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 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one (CID 57074229) is 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one is O=c1[nH]c(O)cn1-c1cc(O)[nH]c1O.
What is the InChIKey of 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one?
The InChIKey is IJUKKSXVZGVTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-4-1-3(6(13)8-4)10-2-5(12)9-7(10)14/h1-2,8,11-13H,(H,9,14).
What are the key properties of 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one?
3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one has a molecular weight of 197.15 g/mol, XLogP of -0.39, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 57074229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).