1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide

C8H10N4O3 — CID 134143253

IUPAC1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide
SMILESNC(=O)c1ncc([N+](=O)[O-])n1CC1CC1
InChIInChI=1S/C8H10N4O3/c9-7(13)8-10-3-6(12(14)15)11(8)4-5-1-2-5/h3,5H,1-2,4H2,(H2,9,13)
InChIKeyYGBBJHPTUIBPOQ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.30
Rot. Bonds4

About 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide

1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide (PubChem CID 134143253) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide
PubChem CID134143253
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide
SMILESNC(=O)c1ncc([N+](=O)[O-])n1CC1CC1
InChIInChI=1S/C8H10N4O3/c9-7(13)8-10-3-6(12(14)15)11(8)4-5-1-2-5/h3,5H,1-2,4H2,(H2,9,13)
InChIKeyYGBBJHPTUIBPOQ-UHFFFAOYSA-N
XLogP0.30
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide (CID 134143253) is 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide is NC(=O)c1ncc([N+](=O)[O-])n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide?
The InChIKey is YGBBJHPTUIBPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-7(13)8-10-3-6(12(14)15)11(8)4-5-1-2-5/h3,5H,1-2,4H2,(H2,9,13).
What are the key properties of 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide?
1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide has a molecular weight of 210.19 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-nitroimidazole-2-carboxamide is sourced from PubChem (CID 134143253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).