N-ethoxyimidazole-1-carboxamide

C6H9N3O2 — CID 71385822

IUPACN-ethoxyimidazole-1-carboxamide
SMILESCCONC(=O)n1ccnc1
InChIInChI=1S/C6H9N3O2/c1-2-11-8-6(10)9-4-3-7-5-9/h3-5H,2H2,1H3,(H,8,10)
InChIKeyRDXGGRVNXBBRNR-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.39
Rot. Bonds2

About N-ethoxyimidazole-1-carboxamide

N-ethoxyimidazole-1-carboxamide (PubChem CID 71385822) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-ethoxyimidazole-1-carboxamide.

Molecular Properties

Compound NameN-ethoxyimidazole-1-carboxamide
PubChem CID71385822
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-ethoxyimidazole-1-carboxamide
SMILESCCONC(=O)n1ccnc1
InChIInChI=1S/C6H9N3O2/c1-2-11-8-6(10)9-4-3-7-5-9/h3-5H,2H2,1H3,(H,8,10)
InChIKeyRDXGGRVNXBBRNR-UHFFFAOYSA-N
XLogP0.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxyimidazole-1-carboxamide?
The IUPAC name of N-ethoxyimidazole-1-carboxamide (CID 71385822) is N-ethoxyimidazole-1-carboxamide.
What is the SMILES notation for N-ethoxyimidazole-1-carboxamide?
The canonical SMILES for N-ethoxyimidazole-1-carboxamide is CCONC(=O)n1ccnc1.
What is the InChIKey of N-ethoxyimidazole-1-carboxamide?
The InChIKey is RDXGGRVNXBBRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-11-8-6(10)9-4-3-7-5-9/h3-5H,2H2,1H3,(H,8,10).
What are the key properties of N-ethoxyimidazole-1-carboxamide?
N-ethoxyimidazole-1-carboxamide has a molecular weight of 155.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyimidazole-1-carboxamide is sourced from PubChem (CID 71385822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).