2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione

C13H10ClNO2 — CID 13194948

IUPAC2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1C2=C(CCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2/c14-8-4-6-9(7-5-8)15-12(16)10-2-1-3-11(10)13(15)17/h4-7H,1-3H2
InChIKeyCBDIPPOVMBURHG-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.69
Rot. Bonds1

About 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione

2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 13194948) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
PubChem CID13194948
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1C2=C(CCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2/c14-8-4-6-9(7-5-8)15-12(16)10-2-1-3-11(10)13(15)17/h4-7H,1-3H2
InChIKeyCBDIPPOVMBURHG-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.69
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

2-(4-chlorophenyl)-6,7-dihydroisoindole-1,3,4,5-tetrone
CID 57046959
2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 3016143
2-[4-[(5-chloro-2-pyridinyl)methylsulfanyl]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 70545853
4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzenesulfonamide
CID 134114210
1-(4-chlorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 71437683
2-[4-[(3-chloro-2-pyridinyl)methoxy]phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 70546021
2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 22365584
2-(4-bromo-3-methylphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 3016137
3-chloro-4-(4-chlorophenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584051
1-(4-chlorophenyl)-3-methylideneazetidin-2-one
CID 125478534
2-(5-chloro-6-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 134114109
(3aR,3bS,9aS,9bR)-2-(4-chlorophenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-as-indaceno[4,5-c]pyrrole-1,3-dione
CID 7221326

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione (CID 13194948) is 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione is O=C1C2=C(CCC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is CBDIPPOVMBURHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-8-4-6-9(7-5-8)15-12(16)10-2-1-3-11(10)13(15)17/h4-7H,1-3H2.
What are the key properties of 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione?
2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 247.68 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 13194948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).