1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate

C13H16N2O2 — CID 10609618

IUPAC1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate
SMILESC=CC(OC(=O)n1ccnc1)C1CC=CCC1
InChIInChI=1S/C13H16N2O2/c1-2-12(11-6-4-3-5-7-11)17-13(16)15-9-8-14-10-15/h2-4,8-12H,1,5-7H2
InChIKeyCIMMRXWZLZGMSV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.78
Rot. Bonds3

About 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate

1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate (PubChem CID 10609618) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate
PubChem CID10609618
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate
SMILESC=CC(OC(=O)n1ccnc1)C1CC=CCC1
InChIInChI=1S/C13H16N2O2/c1-2-12(11-6-4-3-5-7-11)17-13(16)15-9-8-14-10-15/h2-4,8-12H,1,5-7H2
InChIKeyCIMMRXWZLZGMSV-UHFFFAOYSA-N
XLogP2.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.78
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 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate?
The IUPAC name of 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate (CID 10609618) is 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate.
What is the SMILES notation for 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate?
The canonical SMILES for 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate is C=CC(OC(=O)n1ccnc1)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate?
The InChIKey is CIMMRXWZLZGMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-12(11-6-4-3-5-7-11)17-13(16)15-9-8-14-10-15/h2-4,8-12H,1,5-7H2.
What are the key properties of 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate?
1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-ylprop-2-enyl imidazole-1-carboxylate is sourced from PubChem (CID 10609618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).