[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate

C19H23NO6 — CID 7753356

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)OCC(=O)N2CCCC2=O)cc1OCC
InChIInChI=1S/C19H23NO6/c1-3-24-15-9-7-14(12-16(15)25-4-2)8-10-19(23)26-13-18(22)20-11-5-6-17(20)21/h7-10,12H,3-6,11,13H2,1-2H3/b10-8+
InChIKeyZZHJAXWQVDORAQ-CSKARUKUSA-N
MW361.39 g/mol
LogP2.19
Rot. Bonds8

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate (PubChem CID 7753356) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate
PubChem CID7753356
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C/C(=O)OCC(=O)N2CCCC2=O)cc1OCC
InChIInChI=1S/C19H23NO6/c1-3-24-15-9-7-14(12-16(15)25-4-2)8-10-19(23)26-13-18(22)20-11-5-6-17(20)21/h7-10,12H,3-6,11,13H2,1-2H3/b10-8+
InChIKeyZZHJAXWQVDORAQ-CSKARUKUSA-N
XLogP2.19
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7623150
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoate
CID 7847992
3-(3,4-diethoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 1178477
1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
CID 765144
[2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 7904289
[2-(2-acetylhydrazinyl)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7653890
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
[2-(ethylcarbamoylamino)-2-oxoethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate
CID 7753361
[2-(tert-butylamino)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 7790922
ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 54417365
(2-benzamido-2-oxoethyl) (E)-3-(3,4-diethoxyphenyl)prop-2-enoate
CID 7753360
(Z)-3-(3-amino-4-ethoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 94760311

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate (CID 7753356) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate is CCOc1ccc(/C=C/C(=O)OCC(=O)N2CCCC2=O)cc1OCC.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate?
The InChIKey is ZZHJAXWQVDORAQ-CSKARUKUSA-N. The full InChI is InChI=1S/C19H23NO6/c1-3-24-15-9-7-14(12-16(15)25-4-2)8-10-19(23)26-13-18(22)20-11-5-6-17(20)21/h7-10,12H,3-6,11,13H2,1-2H3/b10-8+.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate has a molecular weight of 361.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(3,4-diethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7753356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).