N-cyclohex-2-en-1-ylimidazole-1-carboxamide

C10H13N3O — CID 70427339

IUPACN-cyclohex-2-en-1-ylimidazole-1-carboxamide
SMILESO=C(NC1C=CCCC1)n1ccnc1
InChIInChI=1S/C10H13N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H,12,14)
InChIKeyLURBUDDREZHPHM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.55
Rot. Bonds1

About N-cyclohex-2-en-1-ylimidazole-1-carboxamide

N-cyclohex-2-en-1-ylimidazole-1-carboxamide (PubChem CID 70427339) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylimidazole-1-carboxamide
PubChem CID70427339
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-cyclohex-2-en-1-ylimidazole-1-carboxamide
SMILESO=C(NC1C=CCCC1)n1ccnc1
InChIInChI=1S/C10H13N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H,12,14)
InChIKeyLURBUDDREZHPHM-UHFFFAOYSA-N
XLogP1.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.55
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 N-cyclohex-2-en-1-ylimidazole-1-carboxamide?
The IUPAC name of N-cyclohex-2-en-1-ylimidazole-1-carboxamide (CID 70427339) is N-cyclohex-2-en-1-ylimidazole-1-carboxamide.
What is the SMILES notation for N-cyclohex-2-en-1-ylimidazole-1-carboxamide?
The canonical SMILES for N-cyclohex-2-en-1-ylimidazole-1-carboxamide is O=C(NC1C=CCCC1)n1ccnc1.
What is the InChIKey of N-cyclohex-2-en-1-ylimidazole-1-carboxamide?
The InChIKey is LURBUDDREZHPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(13-7-6-11-8-13)12-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H,12,14).
What are the key properties of N-cyclohex-2-en-1-ylimidazole-1-carboxamide?
N-cyclohex-2-en-1-ylimidazole-1-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylimidazole-1-carboxamide is sourced from PubChem (CID 70427339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).