[2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium

C10H20N2O+2 — CID 90907048

IUPAC[2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium
SMILESC[N+](C)=CC(C1CCOC1)=[N+](C)C
InChIInChI=1S/C10H20N2O/c1-11(2)7-10(12(3)4)9-5-6-13-8-9/h7,9H,5-6,8H2,1-4H3/q+2
InChIKeyHNPNUKCDGGMGCX-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.08
Rot. Bonds2

About [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium

[2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium (PubChem CID 90907048) has the molecular formula C10H20N2O+2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium.

Molecular Properties

Compound Name[2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium
PubChem CID90907048
Molecular FormulaC10H20N2O+2
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium
SMILESC[N+](C)=CC(C1CCOC1)=[N+](C)C
InChIInChI=1S/C10H20N2O/c1-11(2)7-10(12(3)4)9-5-6-13-8-9/h7,9H,5-6,8H2,1-4H3/q+2
InChIKeyHNPNUKCDGGMGCX-UHFFFAOYSA-N
XLogP0.08
TPSA15.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium?
The IUPAC name of [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium (CID 90907048) is [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium.
What is the SMILES notation for [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium?
The canonical SMILES for [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium is C[N+](C)=CC(C1CCOC1)=[N+](C)C.
What is the InChIKey of [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium?
The InChIKey is HNPNUKCDGGMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11(2)7-10(12(3)4)9-5-6-13-8-9/h7,9H,5-6,8H2,1-4H3/q+2.
What are the key properties of [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium?
[2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium has a molecular weight of 184.28 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium is sourced from PubChem (CID 90907048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).