dimethyl(phenylmethoxymethylidene)azanium

C10H14NO+ — CID 13074145

IUPACdimethyl(phenylmethoxymethylidene)azanium
SMILESC[N+](C)=COCc1ccccc1
InChIInChI=1S/C10H14NO/c1-11(2)9-12-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1
InChIKeyADIAIWGLGXRFSE-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.50
Rot. Bonds3

About dimethyl(phenylmethoxymethylidene)azanium

dimethyl(phenylmethoxymethylidene)azanium (PubChem CID 13074145) has the molecular formula C10H14NO+ and a molecular weight of 164.23 g/mol. Its IUPAC name is dimethyl(phenylmethoxymethylidene)azanium.

Molecular Properties

Compound Namedimethyl(phenylmethoxymethylidene)azanium
PubChem CID13074145
Molecular FormulaC10H14NO+
Molecular Weight164.23 g/mol
Exact Mass164.11
IUPAC Namedimethyl(phenylmethoxymethylidene)azanium
SMILESC[N+](C)=COCc1ccccc1
InChIInChI=1S/C10H14NO/c1-11(2)9-12-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1
InChIKeyADIAIWGLGXRFSE-UHFFFAOYSA-N
XLogP1.50
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(phenylmethoxymethylidene)azanium?
The IUPAC name of dimethyl(phenylmethoxymethylidene)azanium (CID 13074145) is dimethyl(phenylmethoxymethylidene)azanium.
What is the SMILES notation for dimethyl(phenylmethoxymethylidene)azanium?
The canonical SMILES for dimethyl(phenylmethoxymethylidene)azanium is C[N+](C)=COCc1ccccc1.
What is the InChIKey of dimethyl(phenylmethoxymethylidene)azanium?
The InChIKey is ADIAIWGLGXRFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO/c1-11(2)9-12-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1.
What are the key properties of dimethyl(phenylmethoxymethylidene)azanium?
dimethyl(phenylmethoxymethylidene)azanium has a molecular weight of 164.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenylmethoxymethylidene)azanium is sourced from PubChem (CID 13074145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).