benzyl-ethylidene-hydroxyazanium

C9H12NO+ — CID 173075170

IUPACbenzyl-ethylidene-hydroxyazanium
SMILESCC=[N+](O)Cc1ccccc1
InChIInChI=1S/C9H12NO/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/q+1
InChIKeyZYDVAEBDAFSTTA-UHFFFAOYSA-N
MW150.20 g/mol
LogP1.68
Rot. Bonds2

About benzyl-ethylidene-hydroxyazanium

benzyl-ethylidene-hydroxyazanium (PubChem CID 173075170) has the molecular formula C9H12NO+ and a molecular weight of 150.20 g/mol. Its IUPAC name is benzyl-ethylidene-hydroxyazanium.

Molecular Properties

Compound Namebenzyl-ethylidene-hydroxyazanium
PubChem CID173075170
Molecular FormulaC9H12NO+
Molecular Weight150.20 g/mol
Exact Mass150.09
IUPAC Namebenzyl-ethylidene-hydroxyazanium
SMILESCC=[N+](O)Cc1ccccc1
InChIInChI=1S/C9H12NO/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/q+1
InChIKeyZYDVAEBDAFSTTA-UHFFFAOYSA-N
XLogP1.68
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

benzyl-hydroxy-methylideneazanium
CID 54307457
methanol;nitromethylbenzene
CID 175133147
(E)-1-phenylbut-2-en-2-ol
CID 170790149
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
CID 6397981
CID 6397981
ethylbenzene;2-methylbut-2-ene
CID 145143829
benzyl-hydroxy-[(2-methylsulfanylquinolin-3-yl)methylidene]azanium
CID 72616680
benzyl-methyl-prop-2-enylideneazanium
CID 3260015
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
1-phenylbut-2-en-2-amine
CID 68995045
[amino-(diaminomethylideneamino)methylidene]-benzyl-methylazanium chloride
CID 135624038
CID 153407894
CID 153407894

Frequently Asked Questions

What is the IUPAC name of benzyl-ethylidene-hydroxyazanium?
The IUPAC name of benzyl-ethylidene-hydroxyazanium (CID 173075170) is benzyl-ethylidene-hydroxyazanium.
What is the SMILES notation for benzyl-ethylidene-hydroxyazanium?
The canonical SMILES for benzyl-ethylidene-hydroxyazanium is CC=[N+](O)Cc1ccccc1.
What is the InChIKey of benzyl-ethylidene-hydroxyazanium?
The InChIKey is ZYDVAEBDAFSTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7,11H,8H2,1H3/q+1.
What are the key properties of benzyl-ethylidene-hydroxyazanium?
benzyl-ethylidene-hydroxyazanium has a molecular weight of 150.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethylidene-hydroxyazanium is sourced from PubChem (CID 173075170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).