N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide

C13H19N3O — CID 51079756

IUPACN-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CC=CCC1
InChIInChI=1S/C13H19N3O/c1-11(9-16-8-7-14-10-16)15-13(17)12-5-3-2-4-6-12/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,15,17)
InChIKeyAIFJCDBERUDFPV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.74
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 51079756) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID51079756
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CC=CCC1
InChIInChI=1S/C13H19N3O/c1-11(9-16-8-7-14-10-16)15-13(17)12-5-3-2-4-6-12/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,15,17)
InChIKeyAIFJCDBERUDFPV-UHFFFAOYSA-N
XLogP1.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.74
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-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide (CID 51079756) is N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide is CC(Cn1ccnc1)NC(=O)C1CC=CCC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is AIFJCDBERUDFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(9-16-8-7-14-10-16)15-13(17)12-5-3-2-4-6-12/h2-3,7-8,10-12H,4-6,9H2,1H3,(H,15,17).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51079756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).