ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate

C9H11NO3 — CID 66933066

IUPACethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESC=COC(=O)C=CN1CCCC1=O
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)5-7-10-6-3-4-8(10)11/h2,5,7H,1,3-4,6H2
InChIKeyGMQPCAHXQLIQLH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.81
Rot. Bonds3

About ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate

ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate (PubChem CID 66933066) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate
PubChem CID66933066
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESC=COC(=O)C=CN1CCCC1=O
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)5-7-10-6-3-4-8(10)11/h2,5,7H,1,3-4,6H2
InChIKeyGMQPCAHXQLIQLH-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

methyl (2E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 5385876
2-(2-Oxopyrrolidin-1-yl)ethyl Acrylate
CID 10986943
2-Propenoic acid, 3-(2-oxo-1-pyrrolidinyl)-, methyl ester, (2E)-
CID 351259
Methyl 2-methylprop-2-enoate--1-ethenylpyrrolidin-2-one (1/1)
CID 71389
Ethyl prop-2-enoate--1-ethenylpyrrolidin-2-one (1/1)
CID 168278
Butyl prop-2-enoate;1-ethenylpyrrolidin-2-one
CID 21395524
1-Ethenylpyrrolidin-2-one;methyl prop-2-enoate
CID 21524937
1-Ethenylpyrrolidin-2-one;ethyl 2-methylprop-2-enoate
CID 132054508
1-[(E)-2-prop-2-enoxyethenyl]pyrrolidin-2-one
CID 164686230
Ethyl(2E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 6422167
ethyl (Z)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 12036925
butyl (E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 49836451

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The IUPAC name of ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate (CID 66933066) is ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate.
What is the SMILES notation for ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The canonical SMILES for ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate is C=COC(=O)C=CN1CCCC1=O.
What is the InChIKey of ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
The InChIKey is GMQPCAHXQLIQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9(12)5-7-10-6-3-4-8(10)11/h2,5,7H,1,3-4,6H2.
What are the key properties of ethenyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate?
ethenyl 3-(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 3-(2-oxopyrrolidin-1-yl)prop-2-enoate is sourced from PubChem (CID 66933066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).