1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione

C19H17N3O4 — CID 19024263

IUPAC1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CNc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H17N3O4/c23-18-11-12-19(24)21(18)13-20-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)22(25)26/h1-10,20H,11-13H2/b2-1+
InChIKeyHEEWZDQIQILDQS-OWOJBTEDSA-N
MW351.36 g/mol
LogP3.28
Rot. Bonds6

About 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione

1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione (PubChem CID 19024263) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione
PubChem CID19024263
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CNc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H17N3O4/c23-18-11-12-19(24)21(18)13-20-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)22(25)26/h1-10,20H,11-13H2/b2-1+
InChIKeyHEEWZDQIQILDQS-OWOJBTEDSA-N
XLogP3.28
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione (CID 19024263) is 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CNc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione?
The InChIKey is HEEWZDQIQILDQS-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-18-11-12-19(24)21(18)13-20-16-7-3-14(4-8-16)1-2-15-5-9-17(10-6-15)22(25)26/h1-10,20H,11-13H2/b2-1+.
What are the key properties of 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione?
1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione has a molecular weight of 351.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(E)-2-(4-nitrophenyl)ethenyl]anilino]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 19024263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).