[(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C15H20O3 — CID 67864746

IUPAC[(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=C[C@@H]1C(C(=O)O[C@H]2C=CC(=O)C2)C1(C)C
InChIInChI=1S/C15H20O3/c1-9(2)7-12-13(15(12,3)4)14(17)18-11-6-5-10(16)8-11/h5-7,11-13H,8H2,1-4H3/t11-,12+,13?/m0/s1
InChIKeyVXGGRSDMMDFTMK-LAGVYOHYSA-N
MW248.32 g/mol
LogP2.67
Rot. Bonds3

About [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

[(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 67864746) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID67864746
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=C[C@@H]1C(C(=O)O[C@H]2C=CC(=O)C2)C1(C)C
InChIInChI=1S/C15H20O3/c1-9(2)7-12-13(15(12,3)4)14(17)18-11-6-5-10(16)8-11/h5-7,11-13H,8H2,1-4H3/t11-,12+,13?/m0/s1
InChIKeyVXGGRSDMMDFTMK-LAGVYOHYSA-N
XLogP2.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-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 [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 67864746) is [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is CC(C)=C[C@@H]1C(C(=O)O[C@H]2C=CC(=O)C2)C1(C)C.
What is the InChIKey of [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is VXGGRSDMMDFTMK-LAGVYOHYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9(2)7-12-13(15(12,3)4)14(17)18-11-6-5-10(16)8-11/h5-7,11-13H,8H2,1-4H3/t11-,12+,13?/m0/s1.
What are the key properties of [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
[(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-oxocyclopent-2-en-1-yl] (3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 67864746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).