N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide

C9H14N4O — CID 107973594

IUPACN-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC/C=C/CN)c1
InChIInChI=1S/C9H14N4O/c1-13-6-8(12-7-13)9(14)11-5-3-2-4-10/h2-3,6-7H,4-5,10H2,1H3,(H,11,14)/b3-2+
InChIKeySUVKEJDHXLPUFS-NSCUHMNNSA-N
MW194.24 g/mol
LogP-0.34
Rot. Bonds4

About N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide

N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide (PubChem CID 107973594) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide
PubChem CID107973594
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC/C=C/CN)c1
InChIInChI=1S/C9H14N4O/c1-13-6-8(12-7-13)9(14)11-5-3-2-4-10/h2-3,6-7H,4-5,10H2,1H3,(H,11,14)/b3-2+
InChIKeySUVKEJDHXLPUFS-NSCUHMNNSA-N
XLogP-0.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide 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

1H-imidazole-5-carboxamide
CID 152917
1-methyl-1H-imidazole-5-carboxamide
CID 2736884
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide
CID 89705223
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
US10022354, Example 19
CID 121279557
5H,6H,7H,8H-imidazo(1,5-a)pyrazin-8-one
CID 55276476
7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 308341
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
US10022354, Example 204
CID 121279712
3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 58970104

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide (CID 107973594) is N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NC/C=C/CN)c1.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide?
The InChIKey is SUVKEJDHXLPUFS-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-6-8(12-7-13)9(14)11-5-3-2-4-10/h2-3,6-7H,4-5,10H2,1H3,(H,11,14)/b3-2+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide?
N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107973594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).