2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

C8H16BrClN2O — CID 160906174

IUPAC2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CBr)NCCN1CCCC1
InChIInChI=1S/C8H15BrN2O.ClH/c9-7-8(12)10-3-6-11-4-1-2-5-11;/h1-7H2,(H,10,12);1H
InChIKeyLUVJWMHPHSLRNF-UHFFFAOYSA-N
MW271.59 g/mol
LogP1.02
Rot. Bonds4

About 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (PubChem CID 160906174) has the molecular formula C8H16BrClN2O and a molecular weight of 271.59 g/mol. Its IUPAC name is 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
PubChem CID160906174
Molecular FormulaC8H16BrClN2O
Molecular Weight271.59 g/mol
Exact Mass270.01
IUPAC Name2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(CBr)NCCN1CCCC1
InChIInChI=1S/C8H15BrN2O.ClH/c9-7-8(12)10-3-6-11-4-1-2-5-11;/h1-7H2,(H,10,12);1H
InChIKeyLUVJWMHPHSLRNF-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.59
LogP ≤ 51.02
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-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (CID 160906174) is 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is Cl.O=C(CBr)NCCN1CCCC1.
What is the InChIKey of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is LUVJWMHPHSLRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O.ClH/c9-7-8(12)10-3-6-11-4-1-2-5-11;/h1-7H2,(H,10,12);1H.
What are the key properties of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 271.59 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 160906174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).