ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate

C15H24O3 — CID 134966742

IUPACethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate
SMILESC=C(C[C@]1(C)C(=O)CC[C@H]1C(C)C)C(=O)OCC
InChIInChI=1S/C15H24O3/c1-6-18-14(17)11(4)9-15(5)12(10(2)3)7-8-13(15)16/h10,12H,4,6-9H2,1-3,5H3/t12-,15-/m0/s1
InChIKeyTVWHIGPHUMHALG-WFASDCNBSA-N
MW252.35 g/mol
LogP3.14
Rot. Bonds5

About ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate

ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate (PubChem CID 134966742) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate
PubChem CID134966742
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate
SMILESC=C(C[C@]1(C)C(=O)CC[C@H]1C(C)C)C(=O)OCC
InChIInChI=1S/C15H24O3/c1-6-18-14(17)11(4)9-15(5)12(10(2)3)7-8-13(15)16/h10,12H,4,6-9H2,1-3,5H3/t12-,15-/m0/s1
InChIKeyTVWHIGPHUMHALG-WFASDCNBSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[(1R,2S)-2-methyl-6-oxocyclohexyl]methyl]prop-2-enoate
CID 11844673
trans-3-Isopropenyl-2-(2-methoxycarbonylethyl)cyclopentanone
CID 15931890
[2-methylidene-4-[(1S,5S)-1-methyl-2-oxo-5-prop-2-enylcyclopentyl]butyl] 2,2-dimethylpropanoate
CID 102391718
methyl 2-[(3aR,6R,8aR)-3a,8a-dimethyl-8-oxo-2,3,4,5,6,7-hexahydro-1H-azulen-6-yl]prop-2-enoate
CID 122401437
methyl 2-(3a,8a-dimethyl-8-oxo-2,3,4,5,6,7-hexahydro-1H-azulen-6-yl)prop-2-enoate
CID 123413228
ethyl 4-[(1S,2R)-2-ethenyl-4,4-dimethylcyclopentyl]-2-methylidenebutanoate
CID 135014474
ethyl 4-[(2S)-2-(2,2-dimethylpropanoyloxymethyl)cyclopentyl]-2-methylidenebutanoate
CID 135054622
ethyl 4-[(1S,2S)-2-ethylcyclopentyl]-2-methylidenebutanoate
CID 135080340
Ethyl 4-cyclohexyl-4-methyl-2-methylidenepentanoate
CID 166448323
Bicyclo[3.3.0]octane-3,6-dione, 1-(ethoxycarbonylmethyl)-2-methylene-
CID 591061
ethyl (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate
CID 10911548
ethyl (3aS,6S,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate
CID 10988260

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate (CID 134966742) is ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate is C=C(C[C@]1(C)C(=O)CC[C@H]1C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate?
The InChIKey is TVWHIGPHUMHALG-WFASDCNBSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-18-14(17)11(4)9-15(5)12(10(2)3)7-8-13(15)16/h10,12H,4,6-9H2,1-3,5H3/t12-,15-/m0/s1.
What are the key properties of ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate?
ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate has a molecular weight of 252.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S,5S)-1-methyl-2-oxo-5-propan-2-ylcyclopentyl]methyl]prop-2-enoate is sourced from PubChem (CID 134966742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).