trimethyl-[(E)-2-phenylethenyl]azanium chloride

C11H16ClN — CID 87786128

IUPACtrimethyl-[(E)-2-phenylethenyl]azanium chloride
SMILESC[N+](C)(C)/C=C/c1ccccc1.[Cl-]
InChIInChI=1S/C11H16N.ClH/c1-12(2,3)10-9-11-7-5-4-6-8-11;/h4-10H,1-3H3;1H/q+1;/p-1/b10-9+;
InChIKeyBCGTZEQXEXNVQG-RRABGKBLSA-M
MW197.71 g/mol
LogP-0.63
Rot. Bonds2

About trimethyl-[(E)-2-phenylethenyl]azanium chloride

trimethyl-[(E)-2-phenylethenyl]azanium chloride (PubChem CID 87786128) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is trimethyl-[(E)-2-phenylethenyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[(E)-2-phenylethenyl]azanium chloride
PubChem CID87786128
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Nametrimethyl-[(E)-2-phenylethenyl]azanium chloride
SMILESC[N+](C)(C)/C=C/c1ccccc1.[Cl-]
InChIInChI=1S/C11H16N.ClH/c1-12(2,3)10-9-11-7-5-4-6-8-11;/h4-10H,1-3H3;1H/q+1;/p-1/b10-9+;
InChIKeyBCGTZEQXEXNVQG-RRABGKBLSA-M
XLogP-0.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl-dimethyl-(2-phenylethenyl)azanium hydroxide
CID 175283784
CID 70567885
CID 70567885
CID 70569152
CID 70569152
N,N-dimethylmethanamine;stilbene
CID 174368184
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
disodium;hydride;(E)-stilbene
CID 173089328
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
hydride;rubidium(1+);stilbene
CID 173437843
4-phenylbuta-1,3-dienylbenzene
CID 162273071
trimethyl-(2-phenylethenylamino)azanium;hydrochloride
CID 174582449
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-2-phenylethenyl]azanium chloride?
The IUPAC name of trimethyl-[(E)-2-phenylethenyl]azanium chloride (CID 87786128) is trimethyl-[(E)-2-phenylethenyl]azanium chloride.
What is the SMILES notation for trimethyl-[(E)-2-phenylethenyl]azanium chloride?
The canonical SMILES for trimethyl-[(E)-2-phenylethenyl]azanium chloride is C[N+](C)(C)/C=C/c1ccccc1.[Cl-].
What is the InChIKey of trimethyl-[(E)-2-phenylethenyl]azanium chloride?
The InChIKey is BCGTZEQXEXNVQG-RRABGKBLSA-M. The full InChI is InChI=1S/C11H16N.ClH/c1-12(2,3)10-9-11-7-5-4-6-8-11;/h4-10H,1-3H3;1H/q+1;/p-1/b10-9+;.
What are the key properties of trimethyl-[(E)-2-phenylethenyl]azanium chloride?
trimethyl-[(E)-2-phenylethenyl]azanium chloride has a molecular weight of 197.71 g/mol, XLogP of -0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-phenylethenyl]azanium chloride is sourced from PubChem (CID 87786128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).