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

C13H10N4O4 — CID 71330676

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate
SMILES[N-]=[N+]=Nc1ccc(C=CC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H10N4O4/c14-16-15-10-4-1-9(2-5-10)3-8-13(20)21-17-11(18)6-7-12(17)19/h1-5,8H,6-7H2
InChIKeyWTOOFLQUPWOYGG-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.25
Rot. Bonds4

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

(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate (PubChem CID 71330676) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate
PubChem CID71330676
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate
SMILES[N-]=[N+]=Nc1ccc(C=CC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H10N4O4/c14-16-15-10-4-1-9(2-5-10)3-8-13(20)21-17-11(18)6-7-12(17)19/h1-5,8H,6-7H2
InChIKeyWTOOFLQUPWOYGG-UHFFFAOYSA-N
XLogP2.25
TPSA112.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate with MolForge

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Related Compounds

methyl (E)-3-(4-azidophenyl)prop-2-enoate
CID 11009012
(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate
CID 173062460
(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
CID 91521628
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
CID 158206097
CID 158206097
(2,5-dioxopyrrolidin-1-yl) (2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 146567329
(2,5-dioxopyrrolidin-1-yl) 3-(2-chlorophenyl)prop-2-enoate
CID 4777919
6-[4-[(E)-3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxoprop-1-enyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 102591600
3-(4-azidophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54106936
4-[2-(4-azidophenyl)ethenyl]benzaldehyde
CID 4829281
(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
CID 87272120
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate
CID 131637407

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate (CID 71330676) is (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate is [N-]=[N+]=Nc1ccc(C=CC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate?
The InChIKey is WTOOFLQUPWOYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c14-16-15-10-4-1-9(2-5-10)3-8-13(20)21-17-11(18)6-7-12(17)19/h1-5,8H,6-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate?
(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate has a molecular weight of 286.25 g/mol, XLogP of 2.25, 4 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) 3-(4-azidophenyl)prop-2-enoate is sourced from PubChem (CID 71330676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).