cyclohex-2-en-1-yl imidazole-1-carboxylate

C10H12N2O2 — CID 23726223

IUPACcyclohex-2-en-1-yl imidazole-1-carboxylate
SMILESO=C(OC1C=CCCC1)n1ccnc1
InChIInChI=1S/C10H12N2O2/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2
InChIKeyLOCFECJCLDLYOG-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.98
Rot. Bonds1

About cyclohex-2-en-1-yl imidazole-1-carboxylate

cyclohex-2-en-1-yl imidazole-1-carboxylate (PubChem CID 23726223) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is cyclohex-2-en-1-yl imidazole-1-carboxylate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl imidazole-1-carboxylate
PubChem CID23726223
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namecyclohex-2-en-1-yl imidazole-1-carboxylate
SMILESO=C(OC1C=CCCC1)n1ccnc1
InChIInChI=1S/C10H12N2O2/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2
InChIKeyLOCFECJCLDLYOG-UHFFFAOYSA-N
XLogP1.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 cyclohex-2-en-1-yl imidazole-1-carboxylate?
The IUPAC name of cyclohex-2-en-1-yl imidazole-1-carboxylate (CID 23726223) is cyclohex-2-en-1-yl imidazole-1-carboxylate.
What is the SMILES notation for cyclohex-2-en-1-yl imidazole-1-carboxylate?
The canonical SMILES for cyclohex-2-en-1-yl imidazole-1-carboxylate is O=C(OC1C=CCCC1)n1ccnc1.
What is the InChIKey of cyclohex-2-en-1-yl imidazole-1-carboxylate?
The InChIKey is LOCFECJCLDLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(12-7-6-11-8-12)14-9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2.
What are the key properties of cyclohex-2-en-1-yl imidazole-1-carboxylate?
cyclohex-2-en-1-yl imidazole-1-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl imidazole-1-carboxylate is sourced from PubChem (CID 23726223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).