1-prop-2-enylimidazole-2-carboxylic acid

C7H8N2O2 — CID 39870461

IUPAC1-prop-2-enylimidazole-2-carboxylic acid
SMILESC=CCn1ccnc1C(=O)O
InChIInChI=1S/C7H8N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h2-3,5H,1,4H2,(H,10,11)
InChIKeyJOVFIISAKDMWDA-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.77
Rot. Bonds3

About 1-prop-2-enylimidazole-2-carboxylic acid

1-prop-2-enylimidazole-2-carboxylic acid (PubChem CID 39870461) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-prop-2-enylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-prop-2-enylimidazole-2-carboxylic acid
PubChem CID39870461
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-prop-2-enylimidazole-2-carboxylic acid
SMILESC=CCn1ccnc1C(=O)O
InChIInChI=1S/C7H8N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h2-3,5H,1,4H2,(H,10,11)
InChIKeyJOVFIISAKDMWDA-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-prop-2-enylimidazole-2-carboxylic acid 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-prop-2-enylimidazole-2-carboxylic acid?
The IUPAC name of 1-prop-2-enylimidazole-2-carboxylic acid (CID 39870461) is 1-prop-2-enylimidazole-2-carboxylic acid.
What is the SMILES notation for 1-prop-2-enylimidazole-2-carboxylic acid?
The canonical SMILES for 1-prop-2-enylimidazole-2-carboxylic acid is C=CCn1ccnc1C(=O)O.
What is the InChIKey of 1-prop-2-enylimidazole-2-carboxylic acid?
The InChIKey is JOVFIISAKDMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-4-9-5-3-8-6(9)7(10)11/h2-3,5H,1,4H2,(H,10,11).
What are the key properties of 1-prop-2-enylimidazole-2-carboxylic acid?
1-prop-2-enylimidazole-2-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylimidazole-2-carboxylic acid is sourced from PubChem (CID 39870461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).