ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate

C13H20O3 — CID 134953590

IUPACethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate
SMILESC=CC[C@]1(CCC(=O)OCC)CCCC1=O
InChIInChI=1S/C13H20O3/c1-3-8-13(9-5-6-11(13)14)10-7-12(15)16-4-2/h3H,1,4-10H2,2H3/t13-/m1/s1
InChIKeyWEFWZZQFTSPZGX-CYBMUJFWSA-N
MW224.30 g/mol
LogP2.65
Rot. Bonds6

About ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate

ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate (PubChem CID 134953590) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate
PubChem CID134953590
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Nameethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate
SMILESC=CC[C@]1(CCC(=O)OCC)CCCC1=O
InChIInChI=1S/C13H20O3/c1-3-8-13(9-5-6-11(13)14)10-7-12(15)16-4-2/h3H,1,4-10H2,2H3/t13-/m1/s1
InChIKeyWEFWZZQFTSPZGX-CYBMUJFWSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 15452639
ethyl 2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14311118
2-Carbethoxy-2-allylcyclopentanone
CID 10910452
Ethyl 2-(2-ethenyl-1-methyl-5-oxocyclopentyl)acetate
CID 134901193
2-(2-Oxo-1-prop-2-enylcyclopentyl)ethyl acetate
CID 10013344
Ethyl 1-but-3-enyl-2-oxocyclopentane-1-carboxylate
CID 11218061
ethyl (1R)-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 12320191
Ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate
CID 53804604
(1R,2R,2'E)-2-(5'-ethoxy-5'-oxo-2-penten-1-yl)-3-oxo-cyclopentane acetic acid methyl ester
CID 171118572
(1R,2R,2'E)-2-(5'-methoxy-5'-oxo-2-penten-1-yl)-3-oxo-cyclopentane acetic acid ethyl ester
CID 171118573
methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 151386030
Ethyl 3-methylidene-10-oxospiro[4.5]decane-2-carboxylate
CID 11128295

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate?
The IUPAC name of ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate (CID 134953590) is ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate.
What is the SMILES notation for ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate?
The canonical SMILES for ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate is C=CC[C@]1(CCC(=O)OCC)CCCC1=O.
What is the InChIKey of ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate?
The InChIKey is WEFWZZQFTSPZGX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-8-13(9-5-6-11(13)14)10-7-12(15)16-4-2/h3H,1,4-10H2,2H3/t13-/m1/s1.
What are the key properties of ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate?
ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate has a molecular weight of 224.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1R)-2-oxo-1-prop-2-enylcyclopentyl]propanoate is sourced from PubChem (CID 134953590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).