cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate

C11H18O3 — CID 134962573

IUPACcis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)CC[C@@H]1C(C)C
InChIInChI=1S/C11H18O3/c1-4-14-11(13)10-8(7(2)3)5-6-9(10)12/h7-8,10H,4-6H2,1-3H3/t8-,10-/m1/s1
InChIKeyKLAOPYJUYVLLAY-PSASIEDQSA-N
MW198.26 g/mol
LogP1.80
Rot. Bonds3

About cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate

cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 134962573) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate
PubChem CID134962573
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namecis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)CC[C@@H]1C(C)C
InChIInChI=1S/C11H18O3/c1-4-14-11(13)10-8(7(2)3)5-6-9(10)12/h7-8,10H,4-6H2,1-3H3/t8-,10-/m1/s1
InChIKeyKLAOPYJUYVLLAY-PSASIEDQSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-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 cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate (CID 134962573) is cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate is CCOC(=O)[C@H]1C(=O)CC[C@@H]1C(C)C.
What is the InChIKey of cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is KLAOPYJUYVLLAY-PSASIEDQSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-14-11(13)10-8(7(2)3)5-6-9(10)12/h7-8,10H,4-6H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate?
cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,5R)-2-oxo-5-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 134962573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).