(5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate

C7H7N3O3 — CID 70553499

IUPAC(5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate
SMILESC=CC(=O)Oc1nc[nH]c1C(N)=O
InChIInChI=1S/C7H7N3O3/c1-2-4(11)13-7-5(6(8)12)9-3-10-7/h2-3H,1H2,(H2,8,12)(H,9,10)
InChIKeyGGELIYLXRMWHJF-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.40
Rot. Bonds3

About (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate

(5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate (PubChem CID 70553499) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate
PubChem CID70553499
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name(5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate
SMILESC=CC(=O)Oc1nc[nH]c1C(N)=O
InChIInChI=1S/C7H7N3O3/c1-2-4(11)13-7-5(6(8)12)9-3-10-7/h2-3H,1H2,(H2,8,12)(H,9,10)
InChIKeyGGELIYLXRMWHJF-UHFFFAOYSA-N
XLogP-0.40
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate 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

(5-carbamoyl-1H-imidazol-4-yl) 3-phenylbut-2-enoate
CID 70534293
(5-carbamoyl-1H-imidazol-4-yl) cyclopentanecarboxylate
CID 70528914
(5-carbamoyl-1H-imidazol-4-yl) 5-methylthiophene-2-carboxylate
CID 20550053
(5-carbamoyl-1H-imidazol-4-yl) 4-nitrobenzoate
CID 12790395
4-amino-1H-imidazole-5-carboxamide;molecular hydrogen
CID 161460316
4-hydrazinyl-1H-imidazole-5-carboxamide
CID 12802223
(4-amino-6-chloro-5-ethylpyridazin-3-yl) prop-2-enoate
CID 175332716
(5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate
CID 13232339
2H-tetrazol-5-yl prop-2-enoate
CID 19986209
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135459437
azanium (2S,3S,4S,5R,6S)-6-[(5-carbamoyl-1H-imidazol-4-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
CID 70504522
ethenyl prop-2-enoate;urea
CID 146453811

Frequently Asked Questions

What is the IUPAC name of (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate?
The IUPAC name of (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate (CID 70553499) is (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate.
What is the SMILES notation for (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate?
The canonical SMILES for (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate is C=CC(=O)Oc1nc[nH]c1C(N)=O.
What is the InChIKey of (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate?
The InChIKey is GGELIYLXRMWHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-2-4(11)13-7-5(6(8)12)9-3-10-7/h2-3H,1H2,(H2,8,12)(H,9,10).
What are the key properties of (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate?
(5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate has a molecular weight of 181.15 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoyl-1H-imidazol-4-yl) prop-2-enoate is sourced from PubChem (CID 70553499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).