2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol

C8H13BrN2O — CID 84696359

IUPAC2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol
SMILESCC(N)C(O)c1cc(Br)n(C)c1
InChIInChI=1S/C8H13BrN2O/c1-5(10)8(12)6-3-7(9)11(2)4-6/h3-5,8,12H,10H2,1-2H3
InChIKeyURHLUNQFOKTXMV-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.17
Rot. Bonds2

About 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol

2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol (PubChem CID 84696359) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol
PubChem CID84696359
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol
SMILESCC(N)C(O)c1cc(Br)n(C)c1
InChIInChI=1S/C8H13BrN2O/c1-5(10)8(12)6-3-7(9)11(2)4-6/h3-5,8,12H,10H2,1-2H3
InChIKeyURHLUNQFOKTXMV-UHFFFAOYSA-N
XLogP1.17
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol (CID 84696359) is 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol is CC(N)C(O)c1cc(Br)n(C)c1.
What is the InChIKey of 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol?
The InChIKey is URHLUNQFOKTXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-5(10)8(12)6-3-7(9)11(2)4-6/h3-5,8,12H,10H2,1-2H3.
What are the key properties of 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol?
2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol has a molecular weight of 233.11 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-1-methylpyrrol-3-yl)propan-1-ol is sourced from PubChem (CID 84696359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).