ethenyl-methyl-[(2-methylphenyl)methylidene]azanium

C11H14N+ — CID 123219568

IUPACethenyl-methyl-[(2-methylphenyl)methylidene]azanium
SMILESC=C/[N+](C)=C/c1ccccc1C
InChIInChI=1S/C11H14N/c1-4-12(3)9-11-8-6-5-7-10(11)2/h4-9H,1H2,2-3H3/q+1/b12-9+
InChIKeyUWKDOUMSPDRTHV-FMIVXFBMSA-N
MW160.24 g/mol
LogP2.20
Rot. Bonds2

About ethenyl-methyl-[(2-methylphenyl)methylidene]azanium

ethenyl-methyl-[(2-methylphenyl)methylidene]azanium (PubChem CID 123219568) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is ethenyl-methyl-[(2-methylphenyl)methylidene]azanium.

Molecular Properties

Compound Nameethenyl-methyl-[(2-methylphenyl)methylidene]azanium
PubChem CID123219568
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Nameethenyl-methyl-[(2-methylphenyl)methylidene]azanium
SMILESC=C/[N+](C)=C/c1ccccc1C
InChIInChI=1S/C11H14N/c1-4-12(3)9-11-8-6-5-7-10(11)2/h4-9H,1H2,2-3H3/q+1/b12-9+
InChIKeyUWKDOUMSPDRTHV-FMIVXFBMSA-N
XLogP2.20
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2-methylphenyl)methanimine oxide
CID 135078631
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225
1-ethenyl-2-methylbenzene;trimethylazanium
CID 18465530
N,1-bis(2-methylphenyl)methanimine oxide
CID 88775099
ethenoxyethene;1-ethenyl-2-methylbenzene
CID 175558522
ethenyl-[(2-methylphenyl)methylidene]-λ3-iodane
CID 153249667
1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
CID 174713948
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
benzenecarbothioamide;dimethyl-[(2-methylphenyl)methylidene]azanium
CID 174445897
ethane;N-ethenyl-1-(2-methylphenyl)methanimine
CID 143039569
1-ethenyl-2-methylbenzene;heptane
CID 173354339

Frequently Asked Questions

What is the IUPAC name of ethenyl-methyl-[(2-methylphenyl)methylidene]azanium?
The IUPAC name of ethenyl-methyl-[(2-methylphenyl)methylidene]azanium (CID 123219568) is ethenyl-methyl-[(2-methylphenyl)methylidene]azanium.
What is the SMILES notation for ethenyl-methyl-[(2-methylphenyl)methylidene]azanium?
The canonical SMILES for ethenyl-methyl-[(2-methylphenyl)methylidene]azanium is C=C/[N+](C)=C/c1ccccc1C.
What is the InChIKey of ethenyl-methyl-[(2-methylphenyl)methylidene]azanium?
The InChIKey is UWKDOUMSPDRTHV-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N/c1-4-12(3)9-11-8-6-5-7-10(11)2/h4-9H,1H2,2-3H3/q+1/b12-9+.
What are the key properties of ethenyl-methyl-[(2-methylphenyl)methylidene]azanium?
ethenyl-methyl-[(2-methylphenyl)methylidene]azanium has a molecular weight of 160.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-[(2-methylphenyl)methylidene]azanium is sourced from PubChem (CID 123219568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).