2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide

C11H15N3O — CID 84594335

IUPAC2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide
SMILESC=C(C)Cn1cc(C(N)=O)nc1C1CC1
InChIInChI=1S/C11H15N3O/c1-7(2)5-14-6-9(10(12)15)13-11(14)8-3-4-8/h6,8H,1,3-5H2,2H3,(H2,12,15)
InChIKeyFPZGWPDUQJQPJQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds4

About 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide

2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide (PubChem CID 84594335) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide
PubChem CID84594335
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide
SMILESC=C(C)Cn1cc(C(N)=O)nc1C1CC1
InChIInChI=1S/C11H15N3O/c1-7(2)5-14-6-9(10(12)15)13-11(14)8-3-4-8/h6,8H,1,3-5H2,2H3,(H2,12,15)
InChIKeyFPZGWPDUQJQPJQ-UHFFFAOYSA-N
XLogP1.44
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide (CID 84594335) is 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide is C=C(C)Cn1cc(C(N)=O)nc1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide?
The InChIKey is FPZGWPDUQJQPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)5-14-6-9(10(12)15)13-11(14)8-3-4-8/h6,8H,1,3-5H2,2H3,(H2,12,15).
What are the key properties of 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide?
2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-methylprop-2-enyl)imidazole-4-carboxamide is sourced from PubChem (CID 84594335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).