(Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one

C8H10N2O2 — CID 135731652

IUPAC(Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one
SMILESCC(=O)/C(=C(/C)O)c1ncc[nH]1
InChIInChI=1S/C8H10N2O2/c1-5(11)7(6(2)12)8-9-3-4-10-8/h3-4,11H,1-2H3,(H,9,10)/b7-5+
InChIKeyGANASRXXWLYKQA-FNORWQNLSA-N
MW166.18 g/mol
LogP1.29
Rot. Bonds2

About (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one

(Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one (PubChem CID 135731652) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one
PubChem CID135731652
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one
SMILESCC(=O)/C(=C(/C)O)c1ncc[nH]1
InChIInChI=1S/C8H10N2O2/c1-5(11)7(6(2)12)8-9-3-4-10-8/h3-4,11H,1-2H3,(H,9,10)/b7-5+
InChIKeyGANASRXXWLYKQA-FNORWQNLSA-N
XLogP1.29
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-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

Related Compounds

(3E)-4-(1H-imidazol-2-yl)but-3-en-2-one
CID 12689514
Methacryloyl imidazole
CID 53908066
1,1,1,5,5,5-Hexafluoro-4-hydroxy-3-(1-methylimidazol-2-yl)pent-3-en-2-one
CID 158801707
2-fluoro-3-(1H-imidazol-2-yl)-1H-pyridin-4-one
CID 177136802
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-(1-methylimidazol-2-yl)pent-3-en-2-one
CID 135666763
(Z)-2-(1H-imidazol-2-yl)pent-2-enoic acid
CID 21653815
2-(1H-imidazol-2-yl)cyclopent-2-en-1-one
CID 53635287
1-chloro-6-hydroxy-4-methyl-5-(3-propyl-1H-imidazol-3-ium-2-yl)pyridin-2-one
CID 57272668
6-(dimethylamino)-2-methylhex-2-enamide;2-ethenyl-1H-imidazole
CID 67763538
5-(1H-imidazol-2-yl)-2-methylpent-2-enoic acid
CID 69824701
(E)-7-(1H-imidazol-2-yl)-6-methylhept-6-ene-2,5-dione
CID 71008535
3-Buten-2-one, 4-(1H-imidazol-2-YL)-
CID 85443332

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one (CID 135731652) is (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one is CC(=O)/C(=C(/C)O)c1ncc[nH]1.
What is the InChIKey of (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one?
The InChIKey is GANASRXXWLYKQA-FNORWQNLSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(11)7(6(2)12)8-9-3-4-10-8/h3-4,11H,1-2H3,(H,9,10)/b7-5+.
What are the key properties of (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one?
(Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one has a molecular weight of 166.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-(1H-imidazol-2-yl)pent-3-en-2-one is sourced from PubChem (CID 135731652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).