(4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate

C15H22N2O2 — CID 145057025

IUPAC(4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate
SMILESCC(C)=C1CC(OC(=O)n2ccnc2)CCC1(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)13-9-12(5-6-15(13,3)4)19-14(18)17-8-7-16-10-17/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyQBGOCVBYFVDYJJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.78
Rot. Bonds1

About (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate

(4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate (PubChem CID 145057025) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate.

Molecular Properties

Compound Name(4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate
PubChem CID145057025
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate
SMILESCC(C)=C1CC(OC(=O)n2ccnc2)CCC1(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)13-9-12(5-6-15(13,3)4)19-14(18)17-8-7-16-10-17/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyQBGOCVBYFVDYJJ-UHFFFAOYSA-N
XLogP3.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.78
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 (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate?
The IUPAC name of (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate (CID 145057025) is (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate.
What is the SMILES notation for (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate?
The canonical SMILES for (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate is CC(C)=C1CC(OC(=O)n2ccnc2)CCC1(C)C.
What is the InChIKey of (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate?
The InChIKey is QBGOCVBYFVDYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)13-9-12(5-6-15(13,3)4)19-14(18)17-8-7-16-10-17/h7-8,10,12H,5-6,9H2,1-4H3.
What are the key properties of (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate?
(4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-propan-2-ylidenecyclohexyl) imidazole-1-carboxylate is sourced from PubChem (CID 145057025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).