2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate

C11H16O3 — CID 102526105

IUPAC2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate
SMILESC=C(COC(C)=O)[C@@H]1CCC[C@H]1C=O
InChIInChI=1S/C11H16O3/c1-8(7-14-9(2)13)11-5-3-4-10(11)6-12/h6,10-11H,1,3-5,7H2,2H3/t10-,11-/m0/s1
InChIKeyOIHBXUIOUABACI-QWRGUYRKSA-N
MW196.25 g/mol
LogP1.72
Rot. Bonds4

About 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate

2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate (PubChem CID 102526105) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate.

Molecular Properties

Compound Name2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate
PubChem CID102526105
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate
SMILESC=C(COC(C)=O)[C@@H]1CCC[C@H]1C=O
InChIInChI=1S/C11H16O3/c1-8(7-14-9(2)13)11-5-3-4-10(11)6-12/h6,10-11H,1,3-5,7H2,2H3/t10-,11-/m0/s1
InChIKeyOIHBXUIOUABACI-QWRGUYRKSA-N
XLogP1.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate 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 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate?
The IUPAC name of 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate (CID 102526105) is 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate.
What is the SMILES notation for 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate?
The canonical SMILES for 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate is C=C(COC(C)=O)[C@@H]1CCC[C@H]1C=O.
What is the InChIKey of 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate?
The InChIKey is OIHBXUIOUABACI-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(7-14-9(2)13)11-5-3-4-10(11)6-12/h6,10-11H,1,3-5,7H2,2H3/t10-,11-/m0/s1.
What are the key properties of 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate?
2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate has a molecular weight of 196.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-formylcyclopentyl]prop-2-enyl acetate is sourced from PubChem (CID 102526105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).