dilithium;dioxido(propylidene)azanium

C3H6Li2NO2+ — CID 134890478

IUPACdilithium;dioxido(propylidene)azanium
SMILESCCC=[N+]([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C3H6NO2.2Li/c1-2-3-4(5)6;;/h3H,2H2,1H3;;/q-1;2*+1
InChIKeyGCJGUJYNDHTHDW-UHFFFAOYSA-N
MW101.97 g/mol
LogP-5.52
Rot. Bonds1

About dilithium;dioxido(propylidene)azanium

dilithium;dioxido(propylidene)azanium (PubChem CID 134890478) has the molecular formula C3H6Li2NO2+ and a molecular weight of 101.97 g/mol. Its IUPAC name is dilithium;dioxido(propylidene)azanium.

Molecular Properties

Compound Namedilithium;dioxido(propylidene)azanium
PubChem CID134890478
Molecular FormulaC3H6Li2NO2+
Molecular Weight101.97 g/mol
Exact Mass102.07
IUPAC Namedilithium;dioxido(propylidene)azanium
SMILESCCC=[N+]([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C3H6NO2.2Li/c1-2-3-4(5)6;;/h3H,2H2,1H3;;/q-1;2*+1
InChIKeyGCJGUJYNDHTHDW-UHFFFAOYSA-N
XLogP-5.52
TPSA49.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.97
LogP ≤ 5-5.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dilithium;dioxido(propylidene)azanium?
The IUPAC name of dilithium;dioxido(propylidene)azanium (CID 134890478) is dilithium;dioxido(propylidene)azanium.
What is the SMILES notation for dilithium;dioxido(propylidene)azanium?
The canonical SMILES for dilithium;dioxido(propylidene)azanium is CCC=[N+]([O-])[O-].[Li+].[Li+].
What is the InChIKey of dilithium;dioxido(propylidene)azanium?
The InChIKey is GCJGUJYNDHTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2.2Li/c1-2-3-4(5)6;;/h3H,2H2,1H3;;/q-1;2*+1.
What are the key properties of dilithium;dioxido(propylidene)azanium?
dilithium;dioxido(propylidene)azanium has a molecular weight of 101.97 g/mol, XLogP of -5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;dioxido(propylidene)azanium is sourced from PubChem (CID 134890478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).