1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione

C12H12N2O3 — CID 6420641

IUPAC1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C/C(=N\O)c1ccccc1
InChIInChI=1S/C12H12N2O3/c15-11-6-7-12(16)14(11)8-10(13-17)9-4-2-1-3-5-9/h1-5,17H,6-8H2/b13-10+
InChIKeyYAFVLZOHKMJHLG-JLHYYAGUSA-N
MW232.24 g/mol
LogP1.01
Rot. Bonds3

About 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione

1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione (PubChem CID 6420641) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione
PubChem CID6420641
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1C/C(=N\O)c1ccccc1
InChIInChI=1S/C12H12N2O3/c15-11-6-7-12(16)14(11)8-10(13-17)9-4-2-1-3-5-9/h1-5,17H,6-8H2/b13-10+
InChIKeyYAFVLZOHKMJHLG-JLHYYAGUSA-N
XLogP1.01
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione (CID 6420641) is 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1C/C(=N\O)c1ccccc1.
What is the InChIKey of 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione?
The InChIKey is YAFVLZOHKMJHLG-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-6-7-12(16)14(11)8-10(13-17)9-4-2-1-3-5-9/h1-5,17H,6-8H2/b13-10+.
What are the key properties of 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione?
1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione has a molecular weight of 232.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-hydroxyimino-2-phenylethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6420641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).