[(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium

C12H17BrN+ — CID 6932742

IUPAC[(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium
SMILESCc1ccc(/C(Br)=C/C[NH+](C)C)cc1
InChIInChI=1S/C12H16BrN/c1-10-4-6-11(7-5-10)12(13)8-9-14(2)3/h4-8H,9H2,1-3H3/p+1/b12-8-
InChIKeyBGLAEEXPXKQJAC-WQLSENKSSA-O
MW255.18 g/mol
LogP1.88
Rot. Bonds3

About [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium

[(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium (PubChem CID 6932742) has the molecular formula C12H17BrN+ and a molecular weight of 255.18 g/mol. Its IUPAC name is [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium
PubChem CID6932742
Molecular FormulaC12H17BrN+
Molecular Weight255.18 g/mol
Exact Mass254.05
IUPAC Name[(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium
SMILESCc1ccc(/C(Br)=C/C[NH+](C)C)cc1
InChIInChI=1S/C12H16BrN/c1-10-4-6-11(7-5-10)12(13)8-9-14(2)3/h4-8H,9H2,1-3H3/p+1/b12-8-
InChIKeyBGLAEEXPXKQJAC-WQLSENKSSA-O
XLogP1.88
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-1-bromo-2-phenylethenyl]-4-methylbenzene
CID 15417413
1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene
CID 143819609
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6372024
1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene
CID 21107287
5-bromo-5-(4-methylphenyl)penta-2,4-dienoic acid
CID 173117046
1-[(E)-2-bromo-2-phenylethenyl]-4-methylbenzene
CID 102070400
1-bromobut-1-enylbenzene
CID 73187599
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610
1-[(1Z,4E)-1,5-dibromo-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-yl]-4-methylbenzene
CID 134904653
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
1-[(Z)-2-bromo-1-fluoroethenyl]-4-methylbenzene
CID 125477335

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium?
The IUPAC name of [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium (CID 6932742) is [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium.
What is the SMILES notation for [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium?
The canonical SMILES for [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium is Cc1ccc(/C(Br)=C/C[NH+](C)C)cc1.
What is the InChIKey of [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium?
The InChIKey is BGLAEEXPXKQJAC-WQLSENKSSA-O. The full InChI is InChI=1S/C12H16BrN/c1-10-4-6-11(7-5-10)12(13)8-9-14(2)3/h4-8H,9H2,1-3H3/p+1/b12-8-.
What are the key properties of [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium?
[(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium has a molecular weight of 255.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-bromo-3-(4-methylphenyl)prop-2-enyl]-dimethylazanium is sourced from PubChem (CID 6932742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).