2-bromo-N-(2-cyanocyclopentyl)butanamide

C10H15BrN2O — CID 62962905

IUPAC2-bromo-N-(2-cyanocyclopentyl)butanamide
SMILESCCC(Br)C(=O)NC1CCCC1C#N
InChIInChI=1S/C10H15BrN2O/c1-2-8(11)10(14)13-9-5-3-4-7(9)6-12/h7-9H,2-5H2,1H3,(H,13,14)
InChIKeyIWNJQDVONYOEOC-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.97
Rot. Bonds3

About 2-bromo-N-(2-cyanocyclopentyl)butanamide

2-bromo-N-(2-cyanocyclopentyl)butanamide (PubChem CID 62962905) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanocyclopentyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanocyclopentyl)butanamide
PubChem CID62962905
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-bromo-N-(2-cyanocyclopentyl)butanamide
SMILESCCC(Br)C(=O)NC1CCCC1C#N
InChIInChI=1S/C10H15BrN2O/c1-2-8(11)10(14)13-9-5-3-4-7(9)6-12/h7-9H,2-5H2,1H3,(H,13,14)
InChIKeyIWNJQDVONYOEOC-UHFFFAOYSA-N
XLogP1.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyanocyclopentyl)butanamide?
The IUPAC name of 2-bromo-N-(2-cyanocyclopentyl)butanamide (CID 62962905) is 2-bromo-N-(2-cyanocyclopentyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-cyanocyclopentyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-cyanocyclopentyl)butanamide is CCC(Br)C(=O)NC1CCCC1C#N.
What is the InChIKey of 2-bromo-N-(2-cyanocyclopentyl)butanamide?
The InChIKey is IWNJQDVONYOEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-2-8(11)10(14)13-9-5-3-4-7(9)6-12/h7-9H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-cyanocyclopentyl)butanamide?
2-bromo-N-(2-cyanocyclopentyl)butanamide has a molecular weight of 259.15 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyanocyclopentyl)butanamide is sourced from PubChem (CID 62962905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).