2-bromo-N-pyrrol-1-ylpropanamide

C7H9BrN2O — CID 107905429

IUPAC2-bromo-N-pyrrol-1-ylpropanamide
SMILESCC(Br)C(=O)Nn1cccc1
InChIInChI=1S/C7H9BrN2O/c1-6(8)7(11)9-10-4-2-3-5-10/h2-6H,1H3,(H,9,11)
InChIKeyTYLUABUJXHMIFZ-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.34
Rot. Bonds2

About 2-bromo-N-pyrrol-1-ylpropanamide

2-bromo-N-pyrrol-1-ylpropanamide (PubChem CID 107905429) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 2-bromo-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name2-bromo-N-pyrrol-1-ylpropanamide
PubChem CID107905429
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name2-bromo-N-pyrrol-1-ylpropanamide
SMILESCC(Br)C(=O)Nn1cccc1
InChIInChI=1S/C7H9BrN2O/c1-6(8)7(11)9-10-4-2-3-5-10/h2-6H,1H3,(H,9,11)
InChIKeyTYLUABUJXHMIFZ-UHFFFAOYSA-N
XLogP1.34
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.34
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-pyrrol-1-ylpropanamide?
The IUPAC name of 2-bromo-N-pyrrol-1-ylpropanamide (CID 107905429) is 2-bromo-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for 2-bromo-N-pyrrol-1-ylpropanamide?
The canonical SMILES for 2-bromo-N-pyrrol-1-ylpropanamide is CC(Br)C(=O)Nn1cccc1.
What is the InChIKey of 2-bromo-N-pyrrol-1-ylpropanamide?
The InChIKey is TYLUABUJXHMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-6(8)7(11)9-10-4-2-3-5-10/h2-6H,1H3,(H,9,11).
What are the key properties of 2-bromo-N-pyrrol-1-ylpropanamide?
2-bromo-N-pyrrol-1-ylpropanamide has a molecular weight of 217.07 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 107905429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).