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

C11H10ClNO2 — CID 43155364

IUPAC3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2ccc(Cl)cc2)CC(=O)NC1=O
InChIInChI=1S/C11H10ClNO2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyUUGLTVQGULWIPD-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.64
Rot. Bonds1

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

3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 43155364) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID43155364
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2ccc(Cl)cc2)CC(=O)NC1=O
InChIInChI=1S/C11H10ClNO2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyUUGLTVQGULWIPD-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione (CID 43155364) is 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione is CC1(c2ccc(Cl)cc2)CC(=O)NC1=O.
What is the InChIKey of 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is UUGLTVQGULWIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,14,15).
What are the key properties of 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione?
3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 223.66 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43155364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).