lithium 2-methanidyloxolane

C5H9LiO — CID 22401610

IUPAClithium 2-methanidyloxolane
SMILES[CH2-]C1CCCO1.[Li+]
InChIInChI=1S/C5H9O.Li/c1-5-3-2-4-6-5;/h5H,1-4H2;/q-1;+1
InChIKeyJUKVVTWFZGPWOE-UHFFFAOYSA-N
MW92.07 g/mol
LogP-2.00
Rot. Bonds

About lithium 2-methanidyloxolane

lithium 2-methanidyloxolane (PubChem CID 22401610) has the molecular formula C5H9LiO and a molecular weight of 92.07 g/mol. Its IUPAC name is lithium 2-methanidyloxolane.

Molecular Properties

Compound Namelithium 2-methanidyloxolane
PubChem CID22401610
Molecular FormulaC5H9LiO
Molecular Weight92.07 g/mol
Exact Mass92.08
IUPAC Namelithium 2-methanidyloxolane
SMILES[CH2-]C1CCCO1.[Li+]
InChIInChI=1S/C5H9O.Li/c1-5-3-2-4-6-5;/h5H,1-4H2;/q-1;+1
InChIKeyJUKVVTWFZGPWOE-UHFFFAOYSA-N
XLogP-2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 5-2.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2-methanidyloxolane?
The IUPAC name of lithium 2-methanidyloxolane (CID 22401610) is lithium 2-methanidyloxolane.
What is the SMILES notation for lithium 2-methanidyloxolane?
The canonical SMILES for lithium 2-methanidyloxolane is [CH2-]C1CCCO1.[Li+].
What is the InChIKey of lithium 2-methanidyloxolane?
The InChIKey is JUKVVTWFZGPWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Li/c1-5-3-2-4-6-5;/h5H,1-4H2;/q-1;+1.
What are the key properties of lithium 2-methanidyloxolane?
lithium 2-methanidyloxolane has a molecular weight of 92.07 g/mol, XLogP of -2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methanidyloxolane is sourced from PubChem (CID 22401610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).