5-bromo-N-(cyclobutylmethyl)pentanamide

C10H18BrNO — CID 107907993

IUPAC5-bromo-N-(cyclobutylmethyl)pentanamide
SMILESO=C(CCCCBr)NCC1CCC1
InChIInChI=1S/C10H18BrNO/c11-7-2-1-6-10(13)12-8-9-4-3-5-9/h9H,1-8H2,(H,12,13)
InChIKeyUFKDUXZJPJRYFH-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.47
Rot. Bonds6

About 5-bromo-N-(cyclobutylmethyl)pentanamide

5-bromo-N-(cyclobutylmethyl)pentanamide (PubChem CID 107907993) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 5-bromo-N-(cyclobutylmethyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(cyclobutylmethyl)pentanamide
PubChem CID107907993
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name5-bromo-N-(cyclobutylmethyl)pentanamide
SMILESO=C(CCCCBr)NCC1CCC1
InChIInChI=1S/C10H18BrNO/c11-7-2-1-6-10(13)12-8-9-4-3-5-9/h9H,1-8H2,(H,12,13)
InChIKeyUFKDUXZJPJRYFH-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.47
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 5-bromo-N-(cyclobutylmethyl)pentanamide?
The IUPAC name of 5-bromo-N-(cyclobutylmethyl)pentanamide (CID 107907993) is 5-bromo-N-(cyclobutylmethyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(cyclobutylmethyl)pentanamide?
The canonical SMILES for 5-bromo-N-(cyclobutylmethyl)pentanamide is O=C(CCCCBr)NCC1CCC1.
What is the InChIKey of 5-bromo-N-(cyclobutylmethyl)pentanamide?
The InChIKey is UFKDUXZJPJRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c11-7-2-1-6-10(13)12-8-9-4-3-5-9/h9H,1-8H2,(H,12,13).
What are the key properties of 5-bromo-N-(cyclobutylmethyl)pentanamide?
5-bromo-N-(cyclobutylmethyl)pentanamide has a molecular weight of 248.16 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclobutylmethyl)pentanamide is sourced from PubChem (CID 107907993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).