4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide

C15H16N2O4 — CID 169092120

IUPAC4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide
SMILESO=C(CCCN1C(=O)C/C(=C\c2ccccc2)C1=O)NO
InChIInChI=1S/C15H16N2O4/c18-13(16-21)7-4-8-17-14(19)10-12(15(17)20)9-11-5-2-1-3-6-11/h1-3,5-6,9,21H,4,7-8,10H2,(H,16,18)/b12-9+
InChIKeyATFSHRCFTWALEY-FMIVXFBMSA-N
MW288.30 g/mol
LogP1.11
Rot. Bonds5

About 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide

4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide (PubChem CID 169092120) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide
PubChem CID169092120
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide
SMILESO=C(CCCN1C(=O)C/C(=C\c2ccccc2)C1=O)NO
InChIInChI=1S/C15H16N2O4/c18-13(16-21)7-4-8-17-14(19)10-12(15(17)20)9-11-5-2-1-3-6-11/h1-3,5-6,9,21H,4,7-8,10H2,(H,16,18)/b12-9+
InChIKeyATFSHRCFTWALEY-FMIVXFBMSA-N
XLogP1.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide (CID 169092120) is 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide is O=C(CCCN1C(=O)C/C(=C\c2ccccc2)C1=O)NO.
What is the InChIKey of 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide?
The InChIKey is ATFSHRCFTWALEY-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13(16-21)7-4-8-17-14(19)10-12(15(17)20)9-11-5-2-1-3-6-11/h1-3,5-6,9,21H,4,7-8,10H2,(H,16,18)/b12-9+.
What are the key properties of 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide?
4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide has a molecular weight of 288.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]-N-hydroxybutanamide is sourced from PubChem (CID 169092120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).