(1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one

C15H20O2 — CID 89171201

IUPAC(1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one
SMILESC[C@]12C[C@H]1C=C(C1CCCCC1)C(=O)[C@]21CO1
InChIInChI=1S/C15H20O2/c1-14-8-11(14)7-12(10-5-3-2-4-6-10)13(16)15(14)9-17-15/h7,10-11H,2-6,8-9H2,1H3/t11-,14+,15-/m1/s1
InChIKeyWELCHCLEQZKDPS-BYCMXARLSA-N
MW232.32 g/mol
LogP2.87
Rot. Bonds1

About (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one

(1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one (PubChem CID 89171201) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one.

Molecular Properties

Compound Name(1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one
PubChem CID89171201
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one
SMILESC[C@]12C[C@H]1C=C(C1CCCCC1)C(=O)[C@]21CO1
InChIInChI=1S/C15H20O2/c1-14-8-11(14)7-12(10-5-3-2-4-6-10)13(16)15(14)9-17-15/h7,10-11H,2-6,8-9H2,1H3/t11-,14+,15-/m1/s1
InChIKeyWELCHCLEQZKDPS-BYCMXARLSA-N
XLogP2.87
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one 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 (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one?
The IUPAC name of (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one (CID 89171201) is (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one.
What is the SMILES notation for (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one?
The canonical SMILES for (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one is C[C@]12C[C@H]1C=C(C1CCCCC1)C(=O)[C@]21CO1.
What is the InChIKey of (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one?
The InChIKey is WELCHCLEQZKDPS-BYCMXARLSA-N. The full InChI is InChI=1S/C15H20O2/c1-14-8-11(14)7-12(10-5-3-2-4-6-10)13(16)15(14)9-17-15/h7,10-11H,2-6,8-9H2,1H3/t11-,14+,15-/m1/s1.
What are the key properties of (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one?
(1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one has a molecular weight of 232.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S)-4-cyclohexyl-1-methylspiro[bicyclo[4.1.0]hept-4-ene-2,2'-oxirane]-3-one is sourced from PubChem (CID 89171201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).