lithium;1,3-dioxolane;nitrate

C3H6LiNO5 — CID 172683754

IUPAClithium;1,3-dioxolane;nitrate
SMILESC1COCO1.O=[N+]([O-])[O-].[Li+]
InChIInChI=1S/C3H6O2.Li.NO3/c1-2-5-3-4-1;;2-1(3)4/h1-3H2;;/q;+1;-1
InChIKeyATGQUKRKPMRRGF-UHFFFAOYSA-N
MW143.02 g/mol
LogP-3.24
Rot. Bonds

About lithium;1,3-dioxolane;nitrate

lithium;1,3-dioxolane;nitrate (PubChem CID 172683754) has the molecular formula C3H6LiNO5 and a molecular weight of 143.02 g/mol. Its IUPAC name is lithium;1,3-dioxolane;nitrate.

Molecular Properties

Compound Namelithium;1,3-dioxolane;nitrate
PubChem CID172683754
Molecular FormulaC3H6LiNO5
Molecular Weight143.02 g/mol
Exact Mass143.04
IUPAC Namelithium;1,3-dioxolane;nitrate
SMILESC1COCO1.O=[N+]([O-])[O-].[Li+]
InChIInChI=1S/C3H6O2.Li.NO3/c1-2-5-3-4-1;;2-1(3)4/h1-3H2;;/q;+1;-1
InChIKeyATGQUKRKPMRRGF-UHFFFAOYSA-N
XLogP-3.24
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.02
LogP ≤ 5-3.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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;1,3-dioxolane;nitrate?
The IUPAC name of lithium;1,3-dioxolane;nitrate (CID 172683754) is lithium;1,3-dioxolane;nitrate.
What is the SMILES notation for lithium;1,3-dioxolane;nitrate?
The canonical SMILES for lithium;1,3-dioxolane;nitrate is C1COCO1.O=[N+]([O-])[O-].[Li+].
What is the InChIKey of lithium;1,3-dioxolane;nitrate?
The InChIKey is ATGQUKRKPMRRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Li.NO3/c1-2-5-3-4-1;;2-1(3)4/h1-3H2;;/q;+1;-1.
What are the key properties of lithium;1,3-dioxolane;nitrate?
lithium;1,3-dioxolane;nitrate has a molecular weight of 143.02 g/mol, XLogP of -3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1,3-dioxolane;nitrate is sourced from PubChem (CID 172683754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).