(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate

C14H10N2O4 — CID 173062460

IUPAC(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate
SMILESN#Cc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H10N2O4/c15-9-11-3-1-10(2-4-11)5-8-14(19)20-16-12(17)6-7-13(16)18/h1-5,8H,6-7H2/b8-5+
InChIKeyGFASCVQEGDHEHM-VMPITWQZSA-N
MW270.24 g/mol
LogP1.18
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate

(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate (PubChem CID 173062460) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate
PubChem CID173062460
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate
SMILESN#Cc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H10N2O4/c15-9-11-3-1-10(2-4-11)5-8-14(19)20-16-12(17)6-7-13(16)18/h1-5,8H,6-7H2/b8-5+
InChIKeyGFASCVQEGDHEHM-VMPITWQZSA-N
XLogP1.18
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate
CID 71330676
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
tert-butyl 3-(4-cyanophenyl)prop-2-enoate
CID 66690910
propan-2-yl 3-(4-cyanophenyl)prop-2-enoate
CID 112722924
cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate
CID 24554790
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate
CID 8935026
(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 146567329
6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 102591600
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
4-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)prop-1-enyl]benzonitrile
CID 76931950
(4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
CID 8765921

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate (CID 173062460) is (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate is N#Cc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate?
The InChIKey is GFASCVQEGDHEHM-VMPITWQZSA-N. The full InChI is InChI=1S/C14H10N2O4/c15-9-11-3-1-10(2-4-11)5-8-14(19)20-16-12(17)6-7-13(16)18/h1-5,8H,6-7H2/b8-5+.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate?
(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate has a molecular weight of 270.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate is sourced from PubChem (CID 173062460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).