benzyl-methyl-prop-2-enylideneazanium

C11H14N+ — CID 3260015

IUPACbenzyl-methyl-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C)Cc1ccccc1
InChIInChI=1S/C11H14N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-9H,1,10H2,2H3/q+1/b12-9+
InChIKeyLTBSDKNKHDFRFW-FMIVXFBMSA-N
MW160.24 g/mol
LogP2.09
Rot. Bonds3

About benzyl-methyl-prop-2-enylideneazanium

benzyl-methyl-prop-2-enylideneazanium (PubChem CID 3260015) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is benzyl-methyl-prop-2-enylideneazanium.

Molecular Properties

Compound Namebenzyl-methyl-prop-2-enylideneazanium
PubChem CID3260015
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Namebenzyl-methyl-prop-2-enylideneazanium
SMILESC=C/C=[N+](\C)Cc1ccccc1
InChIInChI=1S/C11H14N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-9H,1,10H2,2H3/q+1/b12-9+
InChIKeyLTBSDKNKHDFRFW-FMIVXFBMSA-N
XLogP2.09
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.09
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

benzyl-methyl-[(E)-3-(4-methylphenyl)prop-2-enylidene]azanium
CID 101233988
benzyl-ethylidene-hydroxyazanium
CID 173075170
benzyl-hydroxy-methylideneazanium
CID 54307457
ethylcyclodecapentaene
CID 90861705
prop-2-enylbenzene
CID 159998516
CID 6397981
CID 6397981
ethylbenzene;methane;styrene;hydrate
CID 169425917
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
CID 173215164
CID 173215164
prop-2-enylbenzene;dihydrochloride
CID 174768742

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-prop-2-enylideneazanium?
The IUPAC name of benzyl-methyl-prop-2-enylideneazanium (CID 3260015) is benzyl-methyl-prop-2-enylideneazanium.
What is the SMILES notation for benzyl-methyl-prop-2-enylideneazanium?
The canonical SMILES for benzyl-methyl-prop-2-enylideneazanium is C=C/C=[N+](\C)Cc1ccccc1.
What is the InChIKey of benzyl-methyl-prop-2-enylideneazanium?
The InChIKey is LTBSDKNKHDFRFW-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H14N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-9H,1,10H2,2H3/q+1/b12-9+.
What are the key properties of benzyl-methyl-prop-2-enylideneazanium?
benzyl-methyl-prop-2-enylideneazanium has a molecular weight of 160.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-prop-2-enylideneazanium is sourced from PubChem (CID 3260015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).