4-bromobutylalumane;3-bromopyrrolidine-2,5-dione

C8H14AlBr2NO2 — CID 175055595

IUPAC4-bromobutylalumane;3-bromopyrrolidine-2,5-dione
SMILESO=C1CC(Br)C(=O)N1.[AlH2]CCCCBr
InChIInChI=1S/C4H4BrNO2.C4H8Br.Al.2H/c5-2-1-3(7)6-4(2)8;1-2-3-4-5;;;/h2H,1H2,(H,6,7,8);1-4H2;;;
InChIKeyIYGXWJLAVGLYKQ-UHFFFAOYSA-N
MW343.00 g/mol
LogP1.01
Rot. Bonds3

About 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione

4-bromobutylalumane;3-bromopyrrolidine-2,5-dione (PubChem CID 175055595) has the molecular formula C8H14AlBr2NO2 and a molecular weight of 343.00 g/mol. Its IUPAC name is 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-bromobutylalumane;3-bromopyrrolidine-2,5-dione
PubChem CID175055595
Molecular FormulaC8H14AlBr2NO2
Molecular Weight343.00 g/mol
Exact Mass340.92
IUPAC Name4-bromobutylalumane;3-bromopyrrolidine-2,5-dione
SMILESO=C1CC(Br)C(=O)N1.[AlH2]CCCCBr
InChIInChI=1S/C4H4BrNO2.C4H8Br.Al.2H/c5-2-1-3(7)6-4(2)8;1-2-3-4-5;;;/h2H,1H2,(H,6,7,8);1-4H2;;;
InChIKeyIYGXWJLAVGLYKQ-UHFFFAOYSA-N
XLogP1.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.00
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione?
The IUPAC name of 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione (CID 175055595) is 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione.
What is the SMILES notation for 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione?
The canonical SMILES for 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione is O=C1CC(Br)C(=O)N1.[AlH2]CCCCBr.
What is the InChIKey of 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione?
The InChIKey is IYGXWJLAVGLYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO2.C4H8Br.Al.2H/c5-2-1-3(7)6-4(2)8;1-2-3-4-5;;;/h2H,1H2,(H,6,7,8);1-4H2;;;.
What are the key properties of 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione?
4-bromobutylalumane;3-bromopyrrolidine-2,5-dione has a molecular weight of 343.00 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutylalumane;3-bromopyrrolidine-2,5-dione is sourced from PubChem (CID 175055595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).