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

C11H15NO3 — CID 91324235

IUPACethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
SMILESC=CN1CCC(C=CC(=O)OCC)C1=O
InChIInChI=1S/C11H15NO3/c1-3-12-8-7-9(11(12)14)5-6-10(13)15-4-2/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyMEPRIHHKEAWFJG-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.10
Rot. Bonds4

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

ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate (PubChem CID 91324235) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
PubChem CID91324235
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate
SMILESC=CN1CCC(C=CC(=O)OCC)C1=O
InChIInChI=1S/C11H15NO3/c1-3-12-8-7-9(11(12)14)5-6-10(13)15-4-2/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyMEPRIHHKEAWFJG-UHFFFAOYSA-N
XLogP1.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.10
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 (E)-5-methyl-6-oxo-6-pyrrolidin-1-ylhex-2-enoate
CID 146168827
ethyl (E)-5-methyl-6-[methyl(propan-2-yl)amino]-6-oxohex-2-enoate
CID 176436206
Ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-4,4,4-trifluorobut-2-enoate
CID 168684132
ethyl (2E)-2-(1-methyl-5-oxopyrrolidin-2-ylidene)acetate
CID 12435729
ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate
CID 13193714
1-Ethenylpyrrolidin-2-one;5-ethoxycarbonyl-2-methylhexa-2,5-dienoic acid
CID 66850077
3-(1-Ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoic acid
CID 67876141
methyl (E)-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767701
Methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767704
Tert-butyl 3-(3-methoxy-3-oxoprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
CID 68769512
Methyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)-2-methylprop-2-enoate
CID 69970443
Ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 70138530

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate (CID 91324235) is ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate is C=CN1CCC(C=CC(=O)OCC)C1=O.
What is the InChIKey of ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate?
The InChIKey is MEPRIHHKEAWFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-12-8-7-9(11(12)14)5-6-10(13)15-4-2/h3,5-6,9H,1,4,7-8H2,2H3.
What are the key properties of ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate?
ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate has a molecular weight of 209.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-ethenyl-2-oxopyrrolidin-3-yl)prop-2-enoate is sourced from PubChem (CID 91324235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).