1-(5-bromopent-4-ynyl)piperidine-2,6-dione

C10H12BrNO2 — CID 11832086

IUPAC1-(5-bromopent-4-ynyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCC#CBr
InChIInChI=1S/C10H12BrNO2/c11-7-2-1-3-8-12-9(13)5-4-6-10(12)14/h1,3-6,8H2
InChIKeyOHOYXBKOLZPLEB-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.66
Rot. Bonds3

About 1-(5-bromopent-4-ynyl)piperidine-2,6-dione

1-(5-bromopent-4-ynyl)piperidine-2,6-dione (PubChem CID 11832086) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-(5-bromopent-4-ynyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-bromopent-4-ynyl)piperidine-2,6-dione
PubChem CID11832086
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name1-(5-bromopent-4-ynyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCC#CBr
InChIInChI=1S/C10H12BrNO2/c11-7-2-1-3-8-12-9(13)5-4-6-10(12)14/h1,3-6,8H2
InChIKeyOHOYXBKOLZPLEB-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopent-4-ynyl)piperidine-2,6-dione?
The IUPAC name of 1-(5-bromopent-4-ynyl)piperidine-2,6-dione (CID 11832086) is 1-(5-bromopent-4-ynyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(5-bromopent-4-ynyl)piperidine-2,6-dione?
The canonical SMILES for 1-(5-bromopent-4-ynyl)piperidine-2,6-dione is O=C1CCCC(=O)N1CCCC#CBr.
What is the InChIKey of 1-(5-bromopent-4-ynyl)piperidine-2,6-dione?
The InChIKey is OHOYXBKOLZPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-7-2-1-3-8-12-9(13)5-4-6-10(12)14/h1,3-6,8H2.
What are the key properties of 1-(5-bromopent-4-ynyl)piperidine-2,6-dione?
1-(5-bromopent-4-ynyl)piperidine-2,6-dione has a molecular weight of 258.11 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopent-4-ynyl)piperidine-2,6-dione is sourced from PubChem (CID 11832086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).