[2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium

C18H18N2O5 — CID 163204016

IUPAC[2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium
SMILES[O-]/[N+](=N\c1ccccc1C1OCCO1)c1ccccc1C1OCCO1
InChIInChI=1S/C18H18N2O5/c21-20(16-8-4-2-6-14(16)18-24-11-12-25-18)19-15-7-3-1-5-13(15)17-22-9-10-23-17/h1-8,17-18H,9-12H2/b20-19-
InChIKeyLUFYFZYRIMJSAJ-VXPUYCOJSA-N
MW342.35 g/mol
LogP3.70
Rot. Bonds4

About [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium

[2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium (PubChem CID 163204016) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium
PubChem CID163204016
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium
SMILES[O-]/[N+](=N\c1ccccc1C1OCCO1)c1ccccc1C1OCCO1
InChIInChI=1S/C18H18N2O5/c21-20(16-8-4-2-6-14(16)18-24-11-12-25-18)19-15-7-3-1-5-13(15)17-22-9-10-23-17/h1-8,17-18H,9-12H2/b20-19-
InChIKeyLUFYFZYRIMJSAJ-VXPUYCOJSA-N
XLogP3.70
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium?
The IUPAC name of [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium (CID 163204016) is [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium is [O-]/[N+](=N\c1ccccc1C1OCCO1)c1ccccc1C1OCCO1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium?
The InChIKey is LUFYFZYRIMJSAJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-20(16-8-4-2-6-14(16)18-24-11-12-25-18)19-15-7-3-1-5-13(15)17-22-9-10-23-17/h1-8,17-18H,9-12H2/b20-19-.
What are the key properties of [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium?
[2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium has a molecular weight of 342.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)phenyl]-[2-(1,3-dioxolan-2-yl)phenyl]imino-oxidoazanium is sourced from PubChem (CID 163204016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).