1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione

C13H22BrNO2 — CID 65301564

IUPAC1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(CBr)C(C)(C)C)C1=O
InChIInChI=1S/C13H22BrNO2/c1-12(2,3)9(7-14)8-15-10(16)6-13(4,5)11(15)17/h9H,6-8H2,1-5H3
InChIKeyZLTBDRBJXHUFGB-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.83
Rot. Bonds3

About 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65301564) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65301564
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(CBr)C(C)(C)C)C1=O
InChIInChI=1S/C13H22BrNO2/c1-12(2,3)9(7-14)8-15-10(16)6-13(4,5)11(15)17/h9H,6-8H2,1-5H3
InChIKeyZLTBDRBJXHUFGB-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 65301564) is 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(CC(CBr)C(C)(C)C)C1=O.
What is the InChIKey of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is ZLTBDRBJXHUFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c1-12(2,3)9(7-14)8-15-10(16)6-13(4,5)11(15)17/h9H,6-8H2,1-5H3.
What are the key properties of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 304.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65301564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).