cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate

C11H14N2O2 — CID 144745783

IUPACcyclohex-3-en-1-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCC1CC=CCC1)n1ccnc1
InChIInChI=1S/C11H14N2O2/c14-11(13-7-6-12-9-13)15-8-10-4-2-1-3-5-10/h1-2,6-7,9-10H,3-5,8H2
InChIKeyDJNBOFKEZXQGJH-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.22
Rot. Bonds2

About cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate

cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate (PubChem CID 144745783) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl imidazole-1-carboxylate
PubChem CID144745783
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namecyclohex-3-en-1-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCC1CC=CCC1)n1ccnc1
InChIInChI=1S/C11H14N2O2/c14-11(13-7-6-12-9-13)15-8-10-4-2-1-3-5-10/h1-2,6-7,9-10H,3-5,8H2
InChIKeyDJNBOFKEZXQGJH-UHFFFAOYSA-N
XLogP2.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.22
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-3-en-1-ylmethyl imidazole-1-carboxylate?
The IUPAC name of cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate (CID 144745783) is cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate?
The canonical SMILES for cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate is O=C(OCC1CC=CCC1)n1ccnc1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate?
The InChIKey is DJNBOFKEZXQGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(13-7-6-12-9-13)15-8-10-4-2-1-3-5-10/h1-2,6-7,9-10H,3-5,8H2.
What are the key properties of cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate?
cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl imidazole-1-carboxylate is sourced from PubChem (CID 144745783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).