3-(5-bromopentyl)azetidin-2-one

C8H14BrNO — CID 170566275

IUPAC3-(5-bromopentyl)azetidin-2-one
SMILESO=C1NCC1CCCCCBr
InChIInChI=1S/C8H14BrNO/c9-5-3-1-2-4-7-6-10-8(7)11/h7H,1-6H2,(H,10,11)
InChIKeyWIRFIQMEOHDLFL-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.69
Rot. Bonds5

About 3-(5-bromopentyl)azetidin-2-one

3-(5-bromopentyl)azetidin-2-one (PubChem CID 170566275) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 3-(5-bromopentyl)azetidin-2-one.

Molecular Properties

Compound Name3-(5-bromopentyl)azetidin-2-one
PubChem CID170566275
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name3-(5-bromopentyl)azetidin-2-one
SMILESO=C1NCC1CCCCCBr
InChIInChI=1S/C8H14BrNO/c9-5-3-1-2-4-7-6-10-8(7)11/h7H,1-6H2,(H,10,11)
InChIKeyWIRFIQMEOHDLFL-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopentyl)azetidin-2-one?
The IUPAC name of 3-(5-bromopentyl)azetidin-2-one (CID 170566275) is 3-(5-bromopentyl)azetidin-2-one.
What is the SMILES notation for 3-(5-bromopentyl)azetidin-2-one?
The canonical SMILES for 3-(5-bromopentyl)azetidin-2-one is O=C1NCC1CCCCCBr.
What is the InChIKey of 3-(5-bromopentyl)azetidin-2-one?
The InChIKey is WIRFIQMEOHDLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c9-5-3-1-2-4-7-6-10-8(7)11/h7H,1-6H2,(H,10,11).
What are the key properties of 3-(5-bromopentyl)azetidin-2-one?
3-(5-bromopentyl)azetidin-2-one has a molecular weight of 220.11 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopentyl)azetidin-2-one is sourced from PubChem (CID 170566275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).