lithium 1-prop-2-enylpyrrolidine

C7H12LiN — CID 71320619

IUPAClithium 1-prop-2-enylpyrrolidine
SMILESC=C[CH-]N1CCCC1.[Li+]
InChIInChI=1S/C7H12N.Li/c1-2-5-8-6-3-4-7-8;/h2,5H,1,3-4,6-7H2;/q-1;+1
InChIKeyIVQXOYBUVPGSMW-UHFFFAOYSA-N
MW117.12 g/mol
LogP-1.57
Rot. Bonds2

About lithium 1-prop-2-enylpyrrolidine

lithium 1-prop-2-enylpyrrolidine (PubChem CID 71320619) has the molecular formula C7H12LiN and a molecular weight of 117.12 g/mol. Its IUPAC name is lithium 1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Namelithium 1-prop-2-enylpyrrolidine
PubChem CID71320619
Molecular FormulaC7H12LiN
Molecular Weight117.12 g/mol
Exact Mass117.11
IUPAC Namelithium 1-prop-2-enylpyrrolidine
SMILESC=C[CH-]N1CCCC1.[Li+]
InChIInChI=1S/C7H12N.Li/c1-2-5-8-6-3-4-7-8;/h2,5H,1,3-4,6-7H2;/q-1;+1
InChIKeyIVQXOYBUVPGSMW-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'}

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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-prop-2-enylpyrrolidin-5-ide
CID 135048603
Lithium 1-but-3-enylpyrrolidin-5-ide
CID 135082009

Frequently Asked Questions

What is the IUPAC name of lithium 1-prop-2-enylpyrrolidine?
The IUPAC name of lithium 1-prop-2-enylpyrrolidine (CID 71320619) is lithium 1-prop-2-enylpyrrolidine.
What is the SMILES notation for lithium 1-prop-2-enylpyrrolidine?
The canonical SMILES for lithium 1-prop-2-enylpyrrolidine is C=C[CH-]N1CCCC1.[Li+].
What is the InChIKey of lithium 1-prop-2-enylpyrrolidine?
The InChIKey is IVQXOYBUVPGSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N.Li/c1-2-5-8-6-3-4-7-8;/h2,5H,1,3-4,6-7H2;/q-1;+1.
What are the key properties of lithium 1-prop-2-enylpyrrolidine?
lithium 1-prop-2-enylpyrrolidine 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-enylpyrrolidine is sourced from PubChem (CID 71320619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).