2-bromo-2-methyl-N-pyrrol-1-ylpropanamide

C8H11BrN2O — CID 114328870

IUPAC2-bromo-2-methyl-N-pyrrol-1-ylpropanamide
SMILESCC(C)(Br)C(=O)Nn1cccc1
InChIInChI=1S/C8H11BrN2O/c1-8(2,9)7(12)10-11-5-3-4-6-11/h3-6H,1-2H3,(H,10,12)
InChIKeyCLDATWARMZMOCC-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.73
Rot. Bonds2

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

2-bromo-2-methyl-N-pyrrol-1-ylpropanamide (PubChem CID 114328870) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-pyrrol-1-ylpropanamide
PubChem CID114328870
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name2-bromo-2-methyl-N-pyrrol-1-ylpropanamide
SMILESCC(C)(Br)C(=O)Nn1cccc1
InChIInChI=1S/C8H11BrN2O/c1-8(2,9)7(12)10-11-5-3-4-6-11/h3-6H,1-2H3,(H,10,12)
InChIKeyCLDATWARMZMOCC-UHFFFAOYSA-N
XLogP1.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.73
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-2-methyl-N-pyrrol-1-ylpropanamide?
The IUPAC name of 2-bromo-2-methyl-N-pyrrol-1-ylpropanamide (CID 114328870) is 2-bromo-2-methyl-N-pyrrol-1-ylpropanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-pyrrol-1-ylpropanamide?
The canonical SMILES for 2-bromo-2-methyl-N-pyrrol-1-ylpropanamide is CC(C)(Br)C(=O)Nn1cccc1.
What is the InChIKey of 2-bromo-2-methyl-N-pyrrol-1-ylpropanamide?
The InChIKey is CLDATWARMZMOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-8(2,9)7(12)10-11-5-3-4-6-11/h3-6H,1-2H3,(H,10,12).
What are the key properties of 2-bromo-2-methyl-N-pyrrol-1-ylpropanamide?
2-bromo-2-methyl-N-pyrrol-1-ylpropanamide has a molecular weight of 231.09 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-pyrrol-1-ylpropanamide is sourced from PubChem (CID 114328870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).