[cyano(phenyl)methylidene]oxidanium

C8H6NO+ — CID 15577409

IUPAC[cyano(phenyl)methylidene]oxidanium
SMILES[H]/[O+]=C(\C#N)c1ccccc1
InChIInChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H/p+1
InChIKeyGJQBHOAJJGIPRH-UHFFFAOYSA-O
MW132.14 g/mol
LogP1.10
Rot. Bonds1

About [cyano(phenyl)methylidene]oxidanium

[cyano(phenyl)methylidene]oxidanium (PubChem CID 15577409) has the molecular formula C8H6NO+ and a molecular weight of 132.14 g/mol. Its IUPAC name is [cyano(phenyl)methylidene]oxidanium.

Molecular Properties

Compound Name[cyano(phenyl)methylidene]oxidanium
PubChem CID15577409
Molecular FormulaC8H6NO+
Molecular Weight132.14 g/mol
Exact Mass132.04
IUPAC Name[cyano(phenyl)methylidene]oxidanium
SMILES[H]/[O+]=C(\C#N)c1ccccc1
InChIInChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H/p+1
InChIKeyGJQBHOAJJGIPRH-UHFFFAOYSA-O
XLogP1.10
TPSA45.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[chloro(phenyl)methylidene]oxidanium
CID 134973478
(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
CID 21395317
(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
(E)-3-chloro-3-iodo-2-phenylprop-2-enenitrile
CID 134893810
(E)-2,3-bis[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]but-2-enedinitrile
CID 102194233
2-phenyl-3-sulfanylideneprop-2-enenitrile
CID 12552733
(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
CID 102248734
2,3-dibromo-3-phenylprop-2-enenitrile
CID 54113600
(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile
CID 144583765
2-tert-butyl-3-phenylbut-2-enedinitrile
CID 71319923
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873
[cyano(phenyl)methylidene]-diphenylphosphanium
CID 87164360

Frequently Asked Questions

What is the IUPAC name of [cyano(phenyl)methylidene]oxidanium?
The IUPAC name of [cyano(phenyl)methylidene]oxidanium (CID 15577409) is [cyano(phenyl)methylidene]oxidanium.
What is the SMILES notation for [cyano(phenyl)methylidene]oxidanium?
The canonical SMILES for [cyano(phenyl)methylidene]oxidanium is [H]/[O+]=C(\C#N)c1ccccc1.
What is the InChIKey of [cyano(phenyl)methylidene]oxidanium?
The InChIKey is GJQBHOAJJGIPRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H/p+1.
What are the key properties of [cyano(phenyl)methylidene]oxidanium?
[cyano(phenyl)methylidene]oxidanium has a molecular weight of 132.14 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(phenyl)methylidene]oxidanium is sourced from PubChem (CID 15577409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).