1-(4-cyanophenyl)ethylideneoxidanium

C9H8NO+ — CID 139244492

IUPAC1-(4-cyanophenyl)ethylideneoxidanium
SMILES[H]/[O+]=C(\C)c1ccc(C#N)cc1
InChIInChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3/p+1
InChIKeyNLPHXWGWBKZSJC-UHFFFAOYSA-O
MW146.17 g/mol
LogP1.47
Rot. Bonds1

About 1-(4-cyanophenyl)ethylideneoxidanium

1-(4-cyanophenyl)ethylideneoxidanium (PubChem CID 139244492) has the molecular formula C9H8NO+ and a molecular weight of 146.17 g/mol. Its IUPAC name is 1-(4-cyanophenyl)ethylideneoxidanium.

Molecular Properties

Compound Name1-(4-cyanophenyl)ethylideneoxidanium
PubChem CID139244492
Molecular FormulaC9H8NO+
Molecular Weight146.17 g/mol
Exact Mass146.06
IUPAC Name1-(4-cyanophenyl)ethylideneoxidanium
SMILES[H]/[O+]=C(\C)c1ccc(C#N)cc1
InChIInChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3/p+1
InChIKeyNLPHXWGWBKZSJC-UHFFFAOYSA-O
XLogP1.47
TPSA45.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloro-2-methylprop-1-enyl)benzonitrile
CID 142971985
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(E)-1-cyano-2-hydroxyprop-1-enyl]benzonitrile
CID 12869389
4-[1,2-dichloro-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 139674424
2-(4-cyanophenyl)ethene-1,1,2-tricarbonitrile
CID 121012832
4-(4-ethanimidoylphenoxy)benzonitrile
CID 167189473
4-cyanobenzoyl bromide
CID 22321969
4-cyanobenzenecarbodithioic acid
CID 22103916
N-(1-aminoethylidene)-4-cyanobenzamide
CID 130019001
4-hydroxybenzonitrile
CID 53435365
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)ethylideneoxidanium?
The IUPAC name of 1-(4-cyanophenyl)ethylideneoxidanium (CID 139244492) is 1-(4-cyanophenyl)ethylideneoxidanium.
What is the SMILES notation for 1-(4-cyanophenyl)ethylideneoxidanium?
The canonical SMILES for 1-(4-cyanophenyl)ethylideneoxidanium is [H]/[O+]=C(\C)c1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)ethylideneoxidanium?
The InChIKey is NLPHXWGWBKZSJC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3/p+1.
What are the key properties of 1-(4-cyanophenyl)ethylideneoxidanium?
1-(4-cyanophenyl)ethylideneoxidanium has a molecular weight of 146.17 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)ethylideneoxidanium is sourced from PubChem (CID 139244492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).