(1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate

C14H20N2O2 — CID 144745779

IUPAC(1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate
SMILESCC(C)=C1CCC(C)(OC(=O)n2ccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-11(2)12-4-6-14(3,7-5-12)18-13(17)16-9-8-15-10-16/h8-10H,4-7H2,1-3H3
InChIKeyKYPOQNQXTFBKHJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.54
Rot. Bonds1

About (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate

(1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate (PubChem CID 144745779) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate.

Molecular Properties

Compound Name(1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate
PubChem CID144745779
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate
SMILESCC(C)=C1CCC(C)(OC(=O)n2ccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-11(2)12-4-6-14(3,7-5-12)18-13(17)16-9-8-15-10-16/h8-10H,4-7H2,1-3H3
InChIKeyKYPOQNQXTFBKHJ-UHFFFAOYSA-N
XLogP3.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate?
The IUPAC name of (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate (CID 144745779) is (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate.
What is the SMILES notation for (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate?
The canonical SMILES for (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate is CC(C)=C1CCC(C)(OC(=O)n2ccnc2)CC1.
What is the InChIKey of (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate?
The InChIKey is KYPOQNQXTFBKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)12-4-6-14(3,7-5-12)18-13(17)16-9-8-15-10-16/h8-10H,4-7H2,1-3H3.
What are the key properties of (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate?
(1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate is sourced from PubChem (CID 144745779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).