lithium 1-prop-2-enylpyrrolidin-5-ide

C7H12LiN — CID 135048603

IUPAClithium 1-prop-2-enylpyrrolidin-5-ide
SMILESC=CCN1[CH-]CCC1.[Li+]
InChIInChI=1S/C7H12N.Li/c1-2-5-8-6-3-4-7-8;/h2,6H,1,3-5,7H2;/q-1;+1
InChIKeyWCKUDCWGEOLELY-UHFFFAOYSA-N
MW117.12 g/mol
LogP-1.57
Rot. Bonds2

About lithium 1-prop-2-enylpyrrolidin-5-ide

lithium 1-prop-2-enylpyrrolidin-5-ide (PubChem CID 135048603) has the molecular formula C7H12LiN and a molecular weight of 117.12 g/mol. Its IUPAC name is lithium 1-prop-2-enylpyrrolidin-5-ide.

Molecular Properties

Compound Namelithium 1-prop-2-enylpyrrolidin-5-ide
PubChem CID135048603
Molecular FormulaC7H12LiN
Molecular Weight117.12 g/mol
Exact Mass117.11
IUPAC Namelithium 1-prop-2-enylpyrrolidin-5-ide
SMILESC=CCN1[CH-]CCC1.[Li+]
InChIInChI=1S/C7H12N.Li/c1-2-5-8-6-3-4-7-8;/h2,6H,1,3-5,7H2;/q-1;+1
InChIKeyWCKUDCWGEOLELY-UHFFFAOYSA-N
XLogP-1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyrrolidine, 1-(2-propenyl)-
CID 558434
Crotylpyrrolidine
CID 558582
N,N-diallylpyrrolidinium bromide
CID 15812374
1-Allyl-1-methylpyrrolidinium chloride
CID 20062952
1-Buta-2,3-dienylpyrrolidine
CID 57191198
1-(1-Fluoroprop-2-enyl)pyrrolidine
CID 68636995
2-Fluoro-1-prop-2-enylpyrrolidine
CID 68636996
1-(3-Fluoroprop-2-enyl)pyrrolidine
CID 68636999
1-But-2-enylpyrrolidine
CID 5367873
1,1-Bis(prop-2-enyl)pyrrolidin-1-ium chloride
CID 21946570
Lithium 1-but-3-enylpyrrolidin-5-ide
CID 135082009
1-Prop-2-enylpyrrolidine-2-selone
CID 176426372

Frequently Asked Questions

What is the IUPAC name of lithium 1-prop-2-enylpyrrolidin-5-ide?
The IUPAC name of lithium 1-prop-2-enylpyrrolidin-5-ide (CID 135048603) is lithium 1-prop-2-enylpyrrolidin-5-ide.
What is the SMILES notation for lithium 1-prop-2-enylpyrrolidin-5-ide?
The canonical SMILES for lithium 1-prop-2-enylpyrrolidin-5-ide is C=CCN1[CH-]CCC1.[Li+].
What is the InChIKey of lithium 1-prop-2-enylpyrrolidin-5-ide?
The InChIKey is WCKUDCWGEOLELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N.Li/c1-2-5-8-6-3-4-7-8;/h2,6H,1,3-5,7H2;/q-1;+1.
What are the key properties of lithium 1-prop-2-enylpyrrolidin-5-ide?
lithium 1-prop-2-enylpyrrolidin-5-ide has a molecular weight of 117.12 g/mol, XLogP of -1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-prop-2-enylpyrrolidin-5-ide is sourced from PubChem (CID 135048603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).