lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate

C24H24LiNO — CID 102371983

IUPAClithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate
SMILES[Li+].[O-]C(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C24H24NO.Li/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20;/h1-9,11-16,23H,10,17-19H2;/q-1;+1/t23-;/m0./s1
InChIKeyTVSNRBHPYXPHGF-BQAIUKQQSA-N
MW349.40 g/mol
LogP0.96
Rot. Bonds5

About lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate

lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate (PubChem CID 102371983) has the molecular formula C24H24LiNO and a molecular weight of 349.40 g/mol. Its IUPAC name is lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate.

Molecular Properties

Compound Namelithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate
PubChem CID102371983
Molecular FormulaC24H24LiNO
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Namelithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate
SMILES[Li+].[O-]C(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C24H24NO.Li/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20;/h1-9,11-16,23H,10,17-19H2;/q-1;+1/t23-;/m0./s1
InChIKeyTVSNRBHPYXPHGF-BQAIUKQQSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
CID 12035662
[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol
CID 53235722
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
1-benzyl-2-(nitromethyl)pyrrolidine
CID 25198322
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
2-[(2S)-1-benzylpyrrolidin-2-yl]-3-ethoxybut-3-en-2-ol
CID 15720197
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
CID 10563534
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307

Frequently Asked Questions

What is the IUPAC name of lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate?
The IUPAC name of lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate (CID 102371983) is lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate.
What is the SMILES notation for lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate?
The canonical SMILES for lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate is [Li+].[O-]C(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate?
The InChIKey is TVSNRBHPYXPHGF-BQAIUKQQSA-N. The full InChI is InChI=1S/C24H24NO.Li/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20;/h1-9,11-16,23H,10,17-19H2;/q-1;+1/t23-;/m0./s1.
What are the key properties of lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate?
lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate has a molecular weight of 349.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate is sourced from PubChem (CID 102371983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).