1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione

C11H8ClNO2 — CID 112708489

IUPAC1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(N2C(=O)C=CC2=O)ccc1Cl
InChIInChI=1S/C11H8ClNO2/c1-7-6-8(2-3-9(7)12)13-10(14)4-5-11(13)15/h2-6H,1H3
InChIKeyZPMWPVSIEWCCKT-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.08
Rot. Bonds1

About 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione

1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione (PubChem CID 112708489) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione
PubChem CID112708489
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione
SMILESCc1cc(N2C(=O)C=CC2=O)ccc1Cl
InChIInChI=1S/C11H8ClNO2/c1-7-6-8(2-3-9(7)12)13-10(14)4-5-11(13)15/h2-6H,1H3
InChIKeyZPMWPVSIEWCCKT-UHFFFAOYSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.08
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-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 3729076
5-chloro-2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one
CID 742542
2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane
CID 143601748
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387
1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione
CID 914425
1-(4-bromo-3-methylphenyl)-3,4-dichloropyrrole-2,5-dione
CID 2781117
1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 170594221
1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 141170015
2-(4-chloro-3-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
CID 6453696
7-(4-chloro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 172906478
4-acetyl-2-(4-chloro-3-methylphenyl)-3-methyl-1H-pyrazol-5-one
CID 70811845
(1R,2R,6S,7R)-1,7,8,9,10,10-hexachloro-4-(3,4-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6594857

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione (CID 112708489) is 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione is Cc1cc(N2C(=O)C=CC2=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione?
The InChIKey is ZPMWPVSIEWCCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-7-6-8(2-3-9(7)12)13-10(14)4-5-11(13)15/h2-6H,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione?
1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione has a molecular weight of 221.64 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 112708489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).