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

C11H15NO3 — CID 139627278

IUPACethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESC=CC1CCN(C=CC(=O)OCC)C1=O
InChIInChI=1S/C11H15NO3/c1-3-9-5-7-12(11(9)14)8-6-10(13)15-4-2/h3,6,8-9H,1,4-5,7H2,2H3
InChIKeyNGKUSEJLKLBHNN-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.10
Rot. Bonds4

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

ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate (PubChem CID 139627278) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate
PubChem CID139627278
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate
SMILESC=CC1CCN(C=CC(=O)OCC)C1=O
InChIInChI=1S/C11H15NO3/c1-3-9-5-7-12(11(9)14)8-6-10(13)15-4-2/h3,6,8-9H,1,4-5,7H2,2H3
InChIKeyNGKUSEJLKLBHNN-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate (CID 139627278) is ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate is C=CC1CCN(C=CC(=O)OCC)C1=O.
What is the InChIKey of ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate?
The InChIKey is NGKUSEJLKLBHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-9-5-7-12(11(9)14)8-6-10(13)15-4-2/h3,6,8-9H,1,4-5,7H2,2H3.
What are the key properties of ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate?
ethyl 3-(3-ethenyl-2-oxopyrrolidin-1-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-(3-ethenyl-2-oxopyrrolidin-1-yl)prop-2-enoate is sourced from PubChem (CID 139627278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).