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

C8H15BrN2O — CID 53216123

IUPAC2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CBr)NCCN1CCCC1
InChIInChI=1S/C8H15BrN2O/c9-7-8(12)10-3-6-11-4-1-2-5-11/h1-7H2,(H,10,12)
InChIKeySQDZCTCJJQLZHQ-UHFFFAOYSA-N
MW235.12 g/mol
LogP0.59
Rot. Bonds4

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

2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 53216123) has the molecular formula C8H15BrN2O and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID53216123
Molecular FormulaC8H15BrN2O
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CBr)NCCN1CCCC1
InChIInChI=1S/C8H15BrN2O/c9-7-8(12)10-3-6-11-4-1-2-5-11/h1-7H2,(H,10,12)
InChIKeySQDZCTCJJQLZHQ-UHFFFAOYSA-N
XLogP0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 53216123) is 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide is O=C(CBr)NCCN1CCCC1.
What is the InChIKey of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is SQDZCTCJJQLZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O/c9-7-8(12)10-3-6-11-4-1-2-5-11/h1-7H2,(H,10,12).
What are the key properties of 2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 235.12 g/mol, XLogP of 0.59, 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 is sourced from PubChem (CID 53216123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).