ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate

C11H16O3 — CID 14194538

IUPACethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)C1CCC(=O)C1C(=O)OCC
InChIInChI=1S/C11H16O3/c1-4-14-11(13)10-8(7(2)3)5-6-9(10)12/h8,10H,2,4-6H2,1,3H3
InChIKeyHKBLXWCTOWRRGD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.72
Rot. Bonds3

About ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate

ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 14194538) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID14194538
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)C1CCC(=O)C1C(=O)OCC
InChIInChI=1S/C11H16O3/c1-4-14-11(13)10-8(7(2)3)5-6-9(10)12/h8,10H,2,4-6H2,1,3H3
InChIKeyHKBLXWCTOWRRGD-UHFFFAOYSA-N
XLogP1.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 14194538) is ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)C1CCC(=O)C1C(=O)OCC.
What is the InChIKey of ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is HKBLXWCTOWRRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-14-11(13)10-8(7(2)3)5-6-9(10)12/h8,10H,2,4-6H2,1,3H3.
What are the key properties of ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 14194538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).