ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate

C13H17NO4 — CID 11265220

IUPACethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate
SMILESC=C=C(CCC(=O)N1CCCC1=O)C(=O)OCC
InChIInChI=1S/C13H17NO4/c1-3-10(13(17)18-4-2)7-8-12(16)14-9-5-6-11(14)15/h1,4-9H2,2H3
InChIKeyWKVANCOKCBZRDU-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.19
Rot. Bonds5

About ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate

ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate (PubChem CID 11265220) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate
PubChem CID11265220
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate
SMILESC=C=C(CCC(=O)N1CCCC1=O)C(=O)OCC
InChIInChI=1S/C13H17NO4/c1-3-10(13(17)18-4-2)7-8-12(16)14-9-5-6-11(14)15/h1,4-9H2,2H3
InChIKeyWKVANCOKCBZRDU-UHFFFAOYSA-N
XLogP1.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
CID 62011647
ethyl 2-diazo-3-oxo-3-(2-oxopyrrolidin-1-yl)propanoate
CID 85176926
1-decanoylpyrrolidin-2-one
CID 11021000
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
propyl 2-oxopyrrolidine-1-carboxylate
CID 54526452
1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
CID 19994069
ethyl 2-methylidenepyrrolidine-1-carboxylate
CID 15313147
1-(1-aminoethenyl)pyrrolidin-2-one
CID 18740015
ethyl (E)-2-acetyl-4-(2-oxopyrrolidin-1-yl)but-2-enoate
CID 121001319
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate?
The IUPAC name of ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate (CID 11265220) is ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate is C=C=C(CCC(=O)N1CCCC1=O)C(=O)OCC.
What is the InChIKey of ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate?
The InChIKey is WKVANCOKCBZRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-10(13(17)18-4-2)7-8-12(16)14-9-5-6-11(14)15/h1,4-9H2,2H3.
What are the key properties of ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate?
ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate has a molecular weight of 251.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate is sourced from PubChem (CID 11265220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).