2-[(E)-3-aminoprop-1-enyl]-6-bromophenol

C9H10BrNO — CID 117328126

IUPAC2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
SMILESNC/C=C/c1cccc(Br)c1O
InChIInChI=1S/C9H10BrNO/c10-8-5-1-3-7(9(8)12)4-2-6-11/h1-5,12H,6,11H2/b4-2+
InChIKeyRFIPPQKQDXFJHJ-DUXPYHPUSA-N
MW228.09 g/mol
LogP2.13
Rot. Bonds2

About 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol

2-[(E)-3-aminoprop-1-enyl]-6-bromophenol (PubChem CID 117328126) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
PubChem CID117328126
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-6-bromophenol
SMILESNC/C=C/c1cccc(Br)c1O
InChIInChI=1S/C9H10BrNO/c10-8-5-1-3-7(9(8)12)4-2-6-11/h1-5,12H,6,11H2/b4-2+
InChIKeyRFIPPQKQDXFJHJ-DUXPYHPUSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol (CID 117328126) is 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol is NC/C=C/c1cccc(Br)c1O.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol?
The InChIKey is RFIPPQKQDXFJHJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8-5-1-3-7(9(8)12)4-2-6-11/h1-5,12H,6,11H2/b4-2+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol?
2-[(E)-3-aminoprop-1-enyl]-6-bromophenol has a molecular weight of 228.09 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-6-bromophenol is sourced from PubChem (CID 117328126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).