ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate

C15H17NO3 — CID 54417365

IUPACethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)9-8-12-5-3-6-13(11-12)16-10-4-7-14(16)17/h3,5-6,8-9,11H,2,4,7,10H2,1H3
InChIKeyVYJSUDKGHIQMDS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.39
Rot. Bonds4

About ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate

ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate (PubChem CID 54417365) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
PubChem CID54417365
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)9-8-12-5-3-6-13(11-12)16-10-4-7-14(16)17/h3,5-6,8-9,11H,2,4,7,10H2,1H3
InChIKeyVYJSUDKGHIQMDS-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.39
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 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate
CID 169480918
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8650975
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
ethyl (Z)-3-(3-bromophenyl)prop-2-enoate
CID 124561754
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 71882458
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 35844367
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
3-phenylprop-2-ynyl (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 60584526
4-methylpentan-2-yl (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 60584561
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate (CID 54417365) is ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate is CCOC(=O)C=Cc1cccc(N2CCCC2=O)c1.
What is the InChIKey of ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate?
The InChIKey is VYJSUDKGHIQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-19-15(18)9-8-12-5-3-6-13(11-12)16-10-4-7-14(16)17/h3,5-6,8-9,11H,2,4,7,10H2,1H3.
What are the key properties of ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate?
ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate has a molecular weight of 259.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate is sourced from PubChem (CID 54417365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).