lithium 1-methylpyrrolidin-3-olate

C5H10LiNO — CID 20660710

IUPAClithium 1-methylpyrrolidin-3-olate
SMILESCN1CCC([O-])C1.[Li+]
InChIInChI=1S/C5H10NO.Li/c1-6-3-2-5(7)4-6;/h5H,2-4H2,1H3;/q-1;+1
InChIKeyGSZXYINCXNSBJP-UHFFFAOYSA-N
MW107.08 g/mol
LogP-3.95
Rot. Bonds

About lithium 1-methylpyrrolidin-3-olate

lithium 1-methylpyrrolidin-3-olate (PubChem CID 20660710) has the molecular formula C5H10LiNO and a molecular weight of 107.08 g/mol. Its IUPAC name is lithium 1-methylpyrrolidin-3-olate.

Molecular Properties

Compound Namelithium 1-methylpyrrolidin-3-olate
PubChem CID20660710
Molecular FormulaC5H10LiNO
Molecular Weight107.08 g/mol
Exact Mass107.09
IUPAC Namelithium 1-methylpyrrolidin-3-olate
SMILESCN1CCC([O-])C1.[Li+]
InChIInChI=1S/C5H10NO.Li/c1-6-3-2-5(7)4-6;/h5H,2-4H2,1H3;/q-1;+1
InChIKeyGSZXYINCXNSBJP-UHFFFAOYSA-N
XLogP-3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.08
LogP ≤ 5-3.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 1-methylpyrrolidin-3-olate?
The IUPAC name of lithium 1-methylpyrrolidin-3-olate (CID 20660710) is lithium 1-methylpyrrolidin-3-olate.
What is the SMILES notation for lithium 1-methylpyrrolidin-3-olate?
The canonical SMILES for lithium 1-methylpyrrolidin-3-olate is CN1CCC([O-])C1.[Li+].
What is the InChIKey of lithium 1-methylpyrrolidin-3-olate?
The InChIKey is GSZXYINCXNSBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO.Li/c1-6-3-2-5(7)4-6;/h5H,2-4H2,1H3;/q-1;+1.
What are the key properties of lithium 1-methylpyrrolidin-3-olate?
lithium 1-methylpyrrolidin-3-olate has a molecular weight of 107.08 g/mol, XLogP of -3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methylpyrrolidin-3-olate is sourced from PubChem (CID 20660710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).