lithium ethylidene(dioxido)azanium

C2H4LiNO2 — CID 12674703

IUPAClithium ethylidene(dioxido)azanium
SMILESCC=[N+]([O-])[O-].[Li+]
InChIInChI=1S/C2H4NO2.Li/c1-2-3(4)5;/h2H,1H3;/q-1;+1
InChIKeyHWPIDUHICXEKMZ-UHFFFAOYSA-N
MW81.00 g/mol
LogP-2.91
Rot. Bonds

About lithium ethylidene(dioxido)azanium

lithium ethylidene(dioxido)azanium (PubChem CID 12674703) has the molecular formula C2H4LiNO2 and a molecular weight of 81.00 g/mol. Its IUPAC name is lithium ethylidene(dioxido)azanium.

Molecular Properties

Compound Namelithium ethylidene(dioxido)azanium
PubChem CID12674703
Molecular FormulaC2H4LiNO2
Molecular Weight81.00 g/mol
Exact Mass81.04
IUPAC Namelithium ethylidene(dioxido)azanium
SMILESCC=[N+]([O-])[O-].[Li+]
InChIInChI=1S/C2H4NO2.Li/c1-2-3(4)5;/h2H,1H3;/q-1;+1
InChIKeyHWPIDUHICXEKMZ-UHFFFAOYSA-N
XLogP-2.91
TPSA49.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.00
LogP ≤ 5-2.91
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 lithium ethylidene(dioxido)azanium?
The IUPAC name of lithium ethylidene(dioxido)azanium (CID 12674703) is lithium ethylidene(dioxido)azanium.
What is the SMILES notation for lithium ethylidene(dioxido)azanium?
The canonical SMILES for lithium ethylidene(dioxido)azanium is CC=[N+]([O-])[O-].[Li+].
What is the InChIKey of lithium ethylidene(dioxido)azanium?
The InChIKey is HWPIDUHICXEKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4NO2.Li/c1-2-3(4)5;/h2H,1H3;/q-1;+1.
What are the key properties of lithium ethylidene(dioxido)azanium?
lithium ethylidene(dioxido)azanium has a molecular weight of 81.00 g/mol, XLogP of -2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethylidene(dioxido)azanium is sourced from PubChem (CID 12674703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).