lithium 1-ethylpyrrolidin-3-olate

C6H12LiNO — CID 20660707

IUPAClithium 1-ethylpyrrolidin-3-olate
SMILESCCN1CCC([O-])C1.[Li+]
InChIInChI=1S/C6H12NO.Li/c1-2-7-4-3-6(8)5-7;/h6H,2-5H2,1H3;/q-1;+1
InChIKeyUNSNCPKLJLLHFN-UHFFFAOYSA-N
MW121.11 g/mol
LogP-3.56
Rot. Bonds1

About lithium 1-ethylpyrrolidin-3-olate

lithium 1-ethylpyrrolidin-3-olate (PubChem CID 20660707) has the molecular formula C6H12LiNO and a molecular weight of 121.11 g/mol. Its IUPAC name is lithium 1-ethylpyrrolidin-3-olate.

Molecular Properties

Compound Namelithium 1-ethylpyrrolidin-3-olate
PubChem CID20660707
Molecular FormulaC6H12LiNO
Molecular Weight121.11 g/mol
Exact Mass121.11
IUPAC Namelithium 1-ethylpyrrolidin-3-olate
SMILESCCN1CCC([O-])C1.[Li+]
InChIInChI=1S/C6H12NO.Li/c1-2-7-4-3-6(8)5-7;/h6H,2-5H2,1H3;/q-1;+1
InChIKeyUNSNCPKLJLLHFN-UHFFFAOYSA-N
XLogP-3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 5-3.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 1-ethylpyrrolidin-3-olate?
The IUPAC name of lithium 1-ethylpyrrolidin-3-olate (CID 20660707) is lithium 1-ethylpyrrolidin-3-olate.
What is the SMILES notation for lithium 1-ethylpyrrolidin-3-olate?
The canonical SMILES for lithium 1-ethylpyrrolidin-3-olate is CCN1CCC([O-])C1.[Li+].
What is the InChIKey of lithium 1-ethylpyrrolidin-3-olate?
The InChIKey is UNSNCPKLJLLHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO.Li/c1-2-7-4-3-6(8)5-7;/h6H,2-5H2,1H3;/q-1;+1.
What are the key properties of lithium 1-ethylpyrrolidin-3-olate?
lithium 1-ethylpyrrolidin-3-olate has a molecular weight of 121.11 g/mol, XLogP of -3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-ethylpyrrolidin-3-olate is sourced from PubChem (CID 20660707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).