5-bromo-N-(2-oxooxolan-3-yl)pentanamide

C9H14BrNO3 — CID 107907304

IUPAC5-bromo-N-(2-oxooxolan-3-yl)pentanamide
SMILESO=C(CCCCBr)NC1CCOC1=O
InChIInChI=1S/C9H14BrNO3/c10-5-2-1-3-8(12)11-7-4-6-14-9(7)13/h7H,1-6H2,(H,11,12)
InChIKeyFDSWAHGOJGJLCZ-UHFFFAOYSA-N
MW264.12 g/mol
LogP0.98
Rot. Bonds5

About 5-bromo-N-(2-oxooxolan-3-yl)pentanamide

5-bromo-N-(2-oxooxolan-3-yl)pentanamide (PubChem CID 107907304) has the molecular formula C9H14BrNO3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 5-bromo-N-(2-oxooxolan-3-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-oxooxolan-3-yl)pentanamide
PubChem CID107907304
Molecular FormulaC9H14BrNO3
Molecular Weight264.12 g/mol
Exact Mass263.02
IUPAC Name5-bromo-N-(2-oxooxolan-3-yl)pentanamide
SMILESO=C(CCCCBr)NC1CCOC1=O
InChIInChI=1S/C9H14BrNO3/c10-5-2-1-3-8(12)11-7-4-6-14-9(7)13/h7H,1-6H2,(H,11,12)
InChIKeyFDSWAHGOJGJLCZ-UHFFFAOYSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-bromo-N-(2-oxooxolan-3-yl)pentanamide?
The IUPAC name of 5-bromo-N-(2-oxooxolan-3-yl)pentanamide (CID 107907304) is 5-bromo-N-(2-oxooxolan-3-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-oxooxolan-3-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-oxooxolan-3-yl)pentanamide is O=C(CCCCBr)NC1CCOC1=O.
What is the InChIKey of 5-bromo-N-(2-oxooxolan-3-yl)pentanamide?
The InChIKey is FDSWAHGOJGJLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3/c10-5-2-1-3-8(12)11-7-4-6-14-9(7)13/h7H,1-6H2,(H,11,12).
What are the key properties of 5-bromo-N-(2-oxooxolan-3-yl)pentanamide?
5-bromo-N-(2-oxooxolan-3-yl)pentanamide has a molecular weight of 264.12 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-oxooxolan-3-yl)pentanamide is sourced from PubChem (CID 107907304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).