3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione

C14H10ClNO2 — CID 118512005

IUPAC3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc3cc(Cl)ccc23)C(=O)N1
InChIInChI=1S/C14H10ClNO2/c15-9-4-5-10-8(6-9)2-1-3-11(10)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18)
InChIKeyQLEPWSIMBCCTEX-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.62
Rot. Bonds1

About 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione

3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione (PubChem CID 118512005) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
PubChem CID118512005
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc3cc(Cl)ccc23)C(=O)N1
InChIInChI=1S/C14H10ClNO2/c15-9-4-5-10-8(6-9)2-1-3-11(10)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18)
InChIKeyQLEPWSIMBCCTEX-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
CID 44563971
3-(3-Chlorophenyl)-4-(4-chlorophenyl)pyrrolidin-2-one
CID 72202716
4-(3-Chlorophenyl)-3-(4-chlorophenyl)pyrrolidin-2-one
CID 72202848
4-(4-Chlorophenyl)-3-naphthalen-2-ylpyrrolidin-2-one
CID 72202852
4-(3,4-Dichlorophenyl)-3-naphthalen-2-ylpyrrolidin-2-one
CID 72202983
8-Chloro-4-methylbenzo[e]isoindole-1,3-dione
CID 45484140
3-(6-Fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512030
3-(7-Fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512063
3-(Naphthalen-1-yl)pyrrolidine-2,5-dione
CID 14694516
3-(7-Chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
3-(3-Chlorophenyl)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-one
CID 3057806
2-(4-Chlorophenyl)succinimide
CID 4606738

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione (CID 118512005) is 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione is O=C1CC(c2cccc3cc(Cl)ccc23)C(=O)N1.
What is the InChIKey of 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione?
The InChIKey is QLEPWSIMBCCTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-9-4-5-10-8(6-9)2-1-3-11(10)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18).
What are the key properties of 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione?
3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione has a molecular weight of 259.69 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 118512005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).