1-prop-2-enylimidazole-2-carboxamide

C7H9N3O — CID 70066654

IUPAC1-prop-2-enylimidazole-2-carboxamide
SMILESC=CCn1ccnc1C(N)=O
InChIInChI=1S/C7H9N3O/c1-2-4-10-5-3-9-7(10)6(8)11/h2-3,5H,1,4H2,(H2,8,11)
InChIKeyLOKMWMFCPHYMNQ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.17
Rot. Bonds3

About 1-prop-2-enylimidazole-2-carboxamide

1-prop-2-enylimidazole-2-carboxamide (PubChem CID 70066654) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-prop-2-enylimidazole-2-carboxamide.

Molecular Properties

Compound Name1-prop-2-enylimidazole-2-carboxamide
PubChem CID70066654
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-prop-2-enylimidazole-2-carboxamide
SMILESC=CCn1ccnc1C(N)=O
InChIInChI=1S/C7H9N3O/c1-2-4-10-5-3-9-7(10)6(8)11/h2-3,5H,1,4H2,(H2,8,11)
InChIKeyLOKMWMFCPHYMNQ-UHFFFAOYSA-N
XLogP0.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.17
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 1-prop-2-enylimidazole-2-carboxamide?
The IUPAC name of 1-prop-2-enylimidazole-2-carboxamide (CID 70066654) is 1-prop-2-enylimidazole-2-carboxamide.
What is the SMILES notation for 1-prop-2-enylimidazole-2-carboxamide?
The canonical SMILES for 1-prop-2-enylimidazole-2-carboxamide is C=CCn1ccnc1C(N)=O.
What is the InChIKey of 1-prop-2-enylimidazole-2-carboxamide?
The InChIKey is LOKMWMFCPHYMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-4-10-5-3-9-7(10)6(8)11/h2-3,5H,1,4H2,(H2,8,11).
What are the key properties of 1-prop-2-enylimidazole-2-carboxamide?
1-prop-2-enylimidazole-2-carboxamide has a molecular weight of 151.17 g/mol, XLogP of 0.17, 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-carboxamide is sourced from PubChem (CID 70066654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).