1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione

C16H14BrNO2 — CID 81260138

IUPAC1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ccc3cc(Br)ccc3c2)C1=O
InChIInChI=1S/C16H14BrNO2/c1-16(2)9-14(19)18(15(16)20)13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8H,9H2,1-2H3
InChIKeyCTWOKYUZGIMKDB-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.89
Rot. Bonds1

About 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione

1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 81260138) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID81260138
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ccc3cc(Br)ccc3c2)C1=O
InChIInChI=1S/C16H14BrNO2/c1-16(2)9-14(19)18(15(16)20)13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8H,9H2,1-2H3
InChIKeyCTWOKYUZGIMKDB-UHFFFAOYSA-N
XLogP3.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
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 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione (CID 81260138) is 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(c2ccc3cc(Br)ccc3c2)C1=O.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is CTWOKYUZGIMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-16(2)9-14(19)18(15(16)20)13-6-4-10-7-12(17)5-3-11(10)8-13/h3-8H,9H2,1-2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 332.20 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 81260138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).