benzyl-hydroxy-methylideneazanium

C8H10NO+ — CID 54307457

IUPACbenzyl-hydroxy-methylideneazanium
SMILESC=[N+](O)Cc1ccccc1
InChIInChI=1S/C8H10NO/c1-9(10)7-8-5-3-2-4-6-8/h2-6,10H,1,7H2/q+1
InChIKeyVNYPJZMGZXYOHV-UHFFFAOYSA-N
MW136.17 g/mol
LogP1.29
Rot. Bonds2

About benzyl-hydroxy-methylideneazanium

benzyl-hydroxy-methylideneazanium (PubChem CID 54307457) has the molecular formula C8H10NO+ and a molecular weight of 136.17 g/mol. Its IUPAC name is benzyl-hydroxy-methylideneazanium.

Molecular Properties

Compound Namebenzyl-hydroxy-methylideneazanium
PubChem CID54307457
Molecular FormulaC8H10NO+
Molecular Weight136.17 g/mol
Exact Mass136.08
IUPAC Namebenzyl-hydroxy-methylideneazanium
SMILESC=[N+](O)Cc1ccccc1
InChIInChI=1S/C8H10NO/c1-9(10)7-8-5-3-2-4-6-8/h2-6,10H,1,7H2/q+1
InChIKeyVNYPJZMGZXYOHV-UHFFFAOYSA-N
XLogP1.29
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 51.29
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'}

Analyze benzyl-hydroxy-methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl-ethylidene-hydroxyazanium
CID 173075170
CID 6397981
CID 6397981
CID 153407894
CID 153407894
methanol;nitromethylbenzene
CID 175133147
CID 19043257
CID 19043257
benzhydrylidene-benzyl-(difluoromethyl)azanium
CID 177428875
benzyl-methyl-prop-2-enylideneazanium
CID 3260015
formaldehyde;phenylmethanamine;phosphorous acid
CID 161481054
benzyl-propan-2-yl-propan-2-ylideneazanium iodide
CID 134894455
N-benzyl-1-phenylethanimine oxide
CID 85132438
phenyl(113C)methylbenzene
CID 11194569
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of benzyl-hydroxy-methylideneazanium?
The IUPAC name of benzyl-hydroxy-methylideneazanium (CID 54307457) is benzyl-hydroxy-methylideneazanium.
What is the SMILES notation for benzyl-hydroxy-methylideneazanium?
The canonical SMILES for benzyl-hydroxy-methylideneazanium is C=[N+](O)Cc1ccccc1.
What is the InChIKey of benzyl-hydroxy-methylideneazanium?
The InChIKey is VNYPJZMGZXYOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO/c1-9(10)7-8-5-3-2-4-6-8/h2-6,10H,1,7H2/q+1.
What are the key properties of benzyl-hydroxy-methylideneazanium?
benzyl-hydroxy-methylideneazanium has a molecular weight of 136.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-hydroxy-methylideneazanium is sourced from PubChem (CID 54307457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).