prop-1-enylbenzene;trimethylazanium;bromide

C12H20BrN — CID 69252782

IUPACprop-1-enylbenzene;trimethylazanium;bromide
SMILESCC=Cc1ccccc1.C[NH+](C)C.[Br-]
InChIInChI=1S/C9H10.C3H9N.BrH/c1-2-6-9-7-4-3-5-8-9;1-4(2)3;/h2-8H,1H3;1-3H3;1H
InChIKeyLPUCYUBAJZSGLI-UHFFFAOYSA-N
MW258.20 g/mol
LogP-1.52
Rot. Bonds1

About prop-1-enylbenzene;trimethylazanium;bromide

prop-1-enylbenzene;trimethylazanium;bromide (PubChem CID 69252782) has the molecular formula C12H20BrN and a molecular weight of 258.20 g/mol. Its IUPAC name is prop-1-enylbenzene;trimethylazanium;bromide.

Molecular Properties

Compound Nameprop-1-enylbenzene;trimethylazanium;bromide
PubChem CID69252782
Molecular FormulaC12H20BrN
Molecular Weight258.20 g/mol
Exact Mass257.08
IUPAC Nameprop-1-enylbenzene;trimethylazanium;bromide
SMILESCC=Cc1ccccc1.C[NH+](C)C.[Br-]
InChIInChI=1S/C9H10.C3H9N.BrH/c1-2-6-9-7-4-3-5-8-9;1-4(2)3;/h2-8H,1H3;1-3H3;1H
InChIKeyLPUCYUBAJZSGLI-UHFFFAOYSA-N
XLogP-1.52
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of prop-1-enylbenzene;trimethylazanium;bromide?
The IUPAC name of prop-1-enylbenzene;trimethylazanium;bromide (CID 69252782) is prop-1-enylbenzene;trimethylazanium;bromide.
What is the SMILES notation for prop-1-enylbenzene;trimethylazanium;bromide?
The canonical SMILES for prop-1-enylbenzene;trimethylazanium;bromide is CC=Cc1ccccc1.C[NH+](C)C.[Br-].
What is the InChIKey of prop-1-enylbenzene;trimethylazanium;bromide?
The InChIKey is LPUCYUBAJZSGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C3H9N.BrH/c1-2-6-9-7-4-3-5-8-9;1-4(2)3;/h2-8H,1H3;1-3H3;1H.
What are the key properties of prop-1-enylbenzene;trimethylazanium;bromide?
prop-1-enylbenzene;trimethylazanium;bromide has a molecular weight of 258.20 g/mol, XLogP of -1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enylbenzene;trimethylazanium;bromide is sourced from PubChem (CID 69252782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).