lithium 1-phenylpyrrolidine

C10H12LiN — CID 177424093

IUPAClithium 1-phenylpyrrolidine
SMILES[Li+].[c-]1ccc(N2CCCC2)cc1
InChIInChI=1S/C10H12N.Li/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h2-3,6-7H,4-5,8-9H2;/q-1;+1
InChIKeyIDOFWGQMOHPRQS-UHFFFAOYSA-N
MW153.15 g/mol
LogP-0.91
Rot. Bonds1

About lithium 1-phenylpyrrolidine

lithium 1-phenylpyrrolidine (PubChem CID 177424093) has the molecular formula C10H12LiN and a molecular weight of 153.15 g/mol. Its IUPAC name is lithium 1-phenylpyrrolidine.

Molecular Properties

Compound Namelithium 1-phenylpyrrolidine
PubChem CID177424093
Molecular FormulaC10H12LiN
Molecular Weight153.15 g/mol
Exact Mass153.11
IUPAC Namelithium 1-phenylpyrrolidine
SMILES[Li+].[c-]1ccc(N2CCCC2)cc1
InChIInChI=1S/C10H12N.Li/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h2-3,6-7H,4-5,8-9H2;/q-1;+1
InChIKeyIDOFWGQMOHPRQS-UHFFFAOYSA-N
XLogP-0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-0.91
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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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
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4-pyrrolidin-1-ylpyridine
CID 158456628
disilver;tetrakis(4-pyrrolidin-1-ylpyridine);diperchlorate
CID 139201601
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-piperidin-1-ylpyridin-1-ium
CID 5251844
4-pyrrolidin-1-ylpyridin-1-ium bromide
CID 172867849
4-pyrrolidin-1-ylpyridin-1-ium iodide
CID 71117930
1-(3,5-dideuteriophenyl)pyrrolidine
CID 175933366
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
2,6-diamino-4-pyrrolidin-1-ylphenol
CID 24752333

Frequently Asked Questions

What is the IUPAC name of lithium 1-phenylpyrrolidine?
The IUPAC name of lithium 1-phenylpyrrolidine (CID 177424093) is lithium 1-phenylpyrrolidine.
What is the SMILES notation for lithium 1-phenylpyrrolidine?
The canonical SMILES for lithium 1-phenylpyrrolidine is [Li+].[c-]1ccc(N2CCCC2)cc1.
What is the InChIKey of lithium 1-phenylpyrrolidine?
The InChIKey is IDOFWGQMOHPRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N.Li/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h2-3,6-7H,4-5,8-9H2;/q-1;+1.
What are the key properties of lithium 1-phenylpyrrolidine?
lithium 1-phenylpyrrolidine has a molecular weight of 153.15 g/mol, XLogP of -0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-phenylpyrrolidine is sourced from PubChem (CID 177424093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).