lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate

C11H21LiN2O — CID 23704448

IUPAClithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate
SMILESCN1CCC[C@H]1CN1CCC[C@H]1C[O-].[Li+]
InChIInChI=1S/C11H21N2O.Li/c1-12-6-2-4-10(12)8-13-7-3-5-11(13)9-14;/h10-11H,2-9H2,1H3;/q-1;+1/t10-,11-;/m0./s1
InChIKeyJGHDZIAUMJFAQF-ACMTZBLWSA-N
MW204.24 g/mol
LogP-3.09
Rot. Bonds3

About lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate

lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate (PubChem CID 23704448) has the molecular formula C11H21LiN2O and a molecular weight of 204.24 g/mol. Its IUPAC name is lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate.

Molecular Properties

Compound Namelithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate
PubChem CID23704448
Molecular FormulaC11H21LiN2O
Molecular Weight204.24 g/mol
Exact Mass204.18
IUPAC Namelithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate
SMILESCN1CCC[C@H]1CN1CCC[C@H]1C[O-].[Li+]
InChIInChI=1S/C11H21N2O.Li/c1-12-6-2-4-10(12)8-13-7-3-5-11(13)9-14;/h10-11H,2-9H2,1H3;/q-1;+1/t10-,11-;/m0./s1
InChIKeyJGHDZIAUMJFAQF-ACMTZBLWSA-N
XLogP-3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-3.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate?
The IUPAC name of lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate (CID 23704448) is lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate.
What is the SMILES notation for lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate?
The canonical SMILES for lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate is CN1CCC[C@H]1CN1CCC[C@H]1C[O-].[Li+].
What is the InChIKey of lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate?
The InChIKey is JGHDZIAUMJFAQF-ACMTZBLWSA-N. The full InChI is InChI=1S/C11H21N2O.Li/c1-12-6-2-4-10(12)8-13-7-3-5-11(13)9-14;/h10-11H,2-9H2,1H3;/q-1;+1/t10-,11-;/m0./s1.
What are the key properties of lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate?
lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate has a molecular weight of 204.24 g/mol, XLogP of -3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(2S)-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanolate is sourced from PubChem (CID 23704448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).