1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione

C11H10ClNO2 — CID 82080534

IUPAC1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(Cl)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C11H10ClNO2/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3
InChIKeyRPKQWFKGIAQINQ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.30
Rot. Bonds1

About 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione

1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 82080534) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID82080534
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cc(Cl)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C11H10ClNO2/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3
InChIKeyRPKQWFKGIAQINQ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methylphenyl)imidazolidine-2,4-dione
CID 15382317
(1R,2R,6R,7R)-4-(4-chloro-2-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98416342
1-(2-bromo-4-chlorophenyl)azepane-2,7-dione
CID 81274115
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265
(2S)-1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 118705031
1-(4-chloro-2-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020944
(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 1332766
methyl 3-[3-(4-chloro-2-methylphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]propanoate
CID 11347982
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
1-(4-methylthiophen-3-yl)pyrrolidine-2,5-dione
CID 2808246
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
CID 954409

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione (CID 82080534) is 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione is Cc1cc(Cl)ccc1N1C(=O)CCC1=O.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is RPKQWFKGIAQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione?
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 223.66 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 82080534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).