(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione

C10H8ClNO2 — CID 98010170

IUPAC(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
SMILESO=C1NC(=O)[C@@H](c2ccccc2)[C@H]1Cl
InChIInChI=1S/C10H8ClNO2/c11-8-7(9(13)12-10(8)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13,14)/t7-,8+/m0/s1
InChIKeyBIWSBXBZNXQEDE-JGVFFNPUSA-N
MW209.63 g/mol
LogP1.03
Rot. Bonds1

About (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione

(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione (PubChem CID 98010170) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
PubChem CID98010170
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
SMILESO=C1NC(=O)[C@@H](c2ccccc2)[C@H]1Cl
InChIInChI=1S/C10H8ClNO2/c11-8-7(9(13)12-10(8)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13,14)/t7-,8+/m0/s1
InChIKeyBIWSBXBZNXQEDE-JGVFFNPUSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 106694879
3-chloro-4-(4-iodophenyl)pyrrolidine-2,5-dione
CID 106695059
(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 106694974
3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 106694989
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 106694890
3-chloro-4-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 106694973
3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
CID 14796237
3-(4-bromo-3-methylphenyl)-4-chloropyrrolidine-2,5-dione
CID 106694895
(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970
6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 140892299

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione (CID 98010170) is (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione is O=C1NC(=O)[C@@H](c2ccccc2)[C@H]1Cl.
What is the InChIKey of (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione?
The InChIKey is BIWSBXBZNXQEDE-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-8-7(9(13)12-10(8)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,12,13,14)/t7-,8+/m0/s1.
What are the key properties of (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione?
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione has a molecular weight of 209.63 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 98010170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).