(3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione

C11H10ClNO2 — CID 86575898

IUPAC(3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H10ClNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyDZRFOKQUFQQYNV-SSDOTTSWSA-N
MW223.66 g/mol
LogP2.24
Rot. Bonds1

About (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione

(3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 86575898) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID86575898
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C11H10ClNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyDZRFOKQUFQQYNV-SSDOTTSWSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione (CID 86575898) is (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione is C[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is DZRFOKQUFQQYNV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione?
(3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 223.66 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 86575898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).