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

C7H11BrN2O — CID 84684298

IUPAC2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol
SMILESCC(N)C(O)c1c[nH]c(Br)c1
InChIInChI=1S/C7H11BrN2O/c1-4(9)7(11)5-2-6(8)10-3-5/h2-4,7,10-11H,9H2,1H3
InChIKeyCFJLMYKGWAYXQY-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.16
Rot. Bonds2

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

2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol (PubChem CID 84684298) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol
PubChem CID84684298
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol
SMILESCC(N)C(O)c1c[nH]c(Br)c1
InChIInChI=1S/C7H11BrN2O/c1-4(9)7(11)5-2-6(8)10-3-5/h2-4,7,10-11H,9H2,1H3
InChIKeyCFJLMYKGWAYXQY-UHFFFAOYSA-N
XLogP1.16
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol (CID 84684298) is 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol is CC(N)C(O)c1c[nH]c(Br)c1.
What is the InChIKey of 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol?
The InChIKey is CFJLMYKGWAYXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-4(9)7(11)5-2-6(8)10-3-5/h2-4,7,10-11H,9H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol?
2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol has a molecular weight of 219.08 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-1H-pyrrol-3-yl)propan-1-ol is sourced from PubChem (CID 84684298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).