methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate

C8H11N3O3 — CID 79967602

IUPACmethyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate
SMILESC=CCN1C(=O)N=C(N)C1C(=O)OC
InChIInChI=1S/C8H11N3O3/c1-3-4-11-5(7(12)14-2)6(9)10-8(11)13/h3,5H,1,4H2,2H3,(H2,9,10,13)
InChIKeyXNTQKBYYWZRSBJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.49
Rot. Bonds3

About methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate

methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate (PubChem CID 79967602) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate
PubChem CID79967602
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate
SMILESC=CCN1C(=O)N=C(N)C1C(=O)OC
InChIInChI=1S/C8H11N3O3/c1-3-4-11-5(7(12)14-2)6(9)10-8(11)13/h3,5H,1,4H2,2H3,(H2,9,10,13)
InChIKeyXNTQKBYYWZRSBJ-UHFFFAOYSA-N
XLogP-0.49
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate 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 methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate (CID 79967602) is methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate is C=CCN1C(=O)N=C(N)C1C(=O)OC.
What is the InChIKey of methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate?
The InChIKey is XNTQKBYYWZRSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-4-11-5(7(12)14-2)6(9)10-8(11)13/h3,5H,1,4H2,2H3,(H2,9,10,13).
What are the key properties of methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate?
methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate has a molecular weight of 197.19 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-oxo-3-prop-2-enyl-4H-imidazole-4-carboxylate is sourced from PubChem (CID 79967602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).