4-prop-1-en-2-yl-1H-imidazole-5-carboxamide

C7H9N3O — CID 91501608

IUPAC4-prop-1-en-2-yl-1H-imidazole-5-carboxamide
SMILESC=C(C)c1nc[nH]c1C(N)=O
InChIInChI=1S/C7H9N3O/c1-4(2)5-6(7(8)11)10-3-9-5/h3H,1H2,2H3,(H2,8,11)(H,9,10)
InChIKeyVREIELWVCYDUMN-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.54
Rot. Bonds2

About 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide

4-prop-1-en-2-yl-1H-imidazole-5-carboxamide (PubChem CID 91501608) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-prop-1-en-2-yl-1H-imidazole-5-carboxamide
PubChem CID91501608
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-prop-1-en-2-yl-1H-imidazole-5-carboxamide
SMILESC=C(C)c1nc[nH]c1C(N)=O
InChIInChI=1S/C7H9N3O/c1-4(2)5-6(7(8)11)10-3-9-5/h3H,1H2,2H3,(H2,8,11)(H,9,10)
InChIKeyVREIELWVCYDUMN-UHFFFAOYSA-N
XLogP0.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide (CID 91501608) is 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide is C=C(C)c1nc[nH]c1C(N)=O.
What is the InChIKey of 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide?
The InChIKey is VREIELWVCYDUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-4(2)5-6(7(8)11)10-3-9-5/h3H,1H2,2H3,(H2,8,11)(H,9,10).
What are the key properties of 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide?
4-prop-1-en-2-yl-1H-imidazole-5-carboxamide has a molecular weight of 151.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 91501608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).