(3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione

C16H12N2O2 — CID 92533344

IUPAC(3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione
SMILESO=C1NC(=O)[C@H](c2ccccc2)/C1=N/c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10,13H,(H,18,19,20)/b17-14-/t13-/m1/s1
InChIKeyBXOMZFINLVXOHY-CLBVAXQTSA-N
MW264.28 g/mol
LogP2.20
Rot. Bonds2

About (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione

(3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione (PubChem CID 92533344) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione
PubChem CID92533344
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione
SMILESO=C1NC(=O)[C@H](c2ccccc2)/C1=N/c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10,13H,(H,18,19,20)/b17-14-/t13-/m1/s1
InChIKeyBXOMZFINLVXOHY-CLBVAXQTSA-N
XLogP2.20
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)imino-4-phenylpyrrolidine-2,5-dione
CID 91522113
3-naphthalen-1-yl-4-phenyliminopyrrolidine-2,5-dione
CID 54171773
[(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea
CID 98542255
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
3-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]-4-phenyliminopyrrolidine-2,5-dione
CID 123779644
(3S)-3-phenyl-1H-quinoline-2,4-dione
CID 51552290
5-amino-6-phenyliminocyclohex-2-ene-1,4-dione
CID 57059116
(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 817582
(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
CID 129385795
(2S)-2-(4-methoxyphenyl)-3-phenyliminoinden-1-one
CID 124542757
2-(3-bromophenyl)-3-phenyliminoinden-1-one
CID 2848521
2-phenylimino-5-propan-2-yl-1,3-diazinane-4,6-dione
CID 136951888

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione (CID 92533344) is (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione is O=C1NC(=O)[C@H](c2ccccc2)/C1=N/c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione?
The InChIKey is BXOMZFINLVXOHY-CLBVAXQTSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10,13H,(H,18,19,20)/b17-14-/t13-/m1/s1.
What are the key properties of (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione?
(3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione has a molecular weight of 264.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-4-phenyliminopyrrolidine-2,5-dione is sourced from PubChem (CID 92533344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).