ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate

C9H11NO3 — CID 174310290

IUPACethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESC=COC(=O)C(=C)N1CCCC1=O
InChIInChI=1S/C9H11NO3/c1-3-13-9(12)7(2)10-6-4-5-8(10)11/h3H,1-2,4-6H2
InChIKeyCEQDRHJLHIULES-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.81
Rot. Bonds3

About ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate

ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate (PubChem CID 174310290) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate
PubChem CID174310290
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESC=COC(=O)C(=C)N1CCCC1=O
InChIInChI=1S/C9H11NO3/c1-3-13-9(12)7(2)10-6-4-5-8(10)11/h3H,1-2,4-6H2
InChIKeyCEQDRHJLHIULES-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
CID 174989459
ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 67572682
zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105
potassium 2-oxopyrrolidine-1-carboxylate
CID 23675141
1-(1-aminoethenyl)pyrrolidin-2-one
CID 18740015
ethenyl 5-(dimethylamino)-2-methyl-3-(2-oxoazepan-1-yl)pent-2-enoate
CID 68722247
sodium;2-oxopyrrolidine-1-carboxylate;hydrate
CID 139621831
azane;ethenyl acetate;1-ethenylpyrrolidin-2-one
CID 172909616
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
1-(2-oxopyrrolidin-1-yl)buta-1,3-dienyl acetate
CID 76549337
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethenyl-2-(2-oxopyrrolidin-1-yl)prop-2-enamide
CID 67780753
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The IUPAC name of ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate (CID 174310290) is ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate.
What is the SMILES notation for ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The canonical SMILES for ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate is C=COC(=O)C(=C)N1CCCC1=O.
What is the InChIKey of ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The InChIKey is CEQDRHJLHIULES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-13-9(12)7(2)10-6-4-5-8(10)11/h3H,1-2,4-6H2.
What are the key properties of ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate?
ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate has a molecular weight of 181.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(2-oxopyrrolidin-1-yl)prop-2-enoate is sourced from PubChem (CID 174310290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).