2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide

C11H17BrN2O — CID 62962724

IUPAC2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC1CCCC1C#N
InChIInChI=1S/C11H17BrN2O/c1-7(2)10(12)11(15)14-9-5-3-4-8(9)6-13/h7-10H,3-5H2,1-2H3,(H,14,15)
InChIKeyCFSWERRKMZAGDD-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.21
Rot. Bonds3

About 2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide

2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide (PubChem CID 62962724) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide
PubChem CID62962724
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC1CCCC1C#N
InChIInChI=1S/C11H17BrN2O/c1-7(2)10(12)11(15)14-9-5-3-4-8(9)6-13/h7-10H,3-5H2,1-2H3,(H,14,15)
InChIKeyCFSWERRKMZAGDD-UHFFFAOYSA-N
XLogP2.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.21
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)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide (CID 62962724) is 2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide is CC(C)C(Br)C(=O)NC1CCCC1C#N.
What is the InChIKey of 2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide?
The InChIKey is CFSWERRKMZAGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-7(2)10(12)11(15)14-9-5-3-4-8(9)6-13/h7-10H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide?
2-bromo-N-(2-cyanocyclopentyl)-3-methylbutanamide has a molecular weight of 273.17 g/mol, XLogP of 2.21, 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)-3-methylbutanamide is sourced from PubChem (CID 62962724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).