3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione

C14H10ClNO2 — CID 118511993

IUPAC3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc3ccc(Cl)cc23)C(=O)N1
InChIInChI=1S/C14H10ClNO2/c15-9-5-4-8-2-1-3-10(11(8)6-9)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18)
InChIKeyASDZSOIHNZDMMA-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.62
Rot. Bonds1

About 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione

3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione (PubChem CID 118511993) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
PubChem CID118511993
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc3ccc(Cl)cc23)C(=O)N1
InChIInChI=1S/C14H10ClNO2/c15-9-5-4-8-2-1-3-10(11(8)6-9)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18)
InChIKeyASDZSOIHNZDMMA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione (CID 118511993) is 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione is O=C1CC(c2cccc3ccc(Cl)cc23)C(=O)N1.
What is the InChIKey of 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione?
The InChIKey is ASDZSOIHNZDMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-9-5-4-8-2-1-3-10(11(8)6-9)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18).
What are the key properties of 3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione?
3-(7-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-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 118511993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).