lithium 1-but-3-enylpyrrolidin-5-ide

C8H14LiN — CID 135082009

IUPAClithium 1-but-3-enylpyrrolidin-5-ide
SMILESC=CCCN1[CH-]CCC1.[Li+]
InChIInChI=1S/C8H14N.Li/c1-2-3-6-9-7-4-5-8-9;/h2,7H,1,3-6,8H2;/q-1;+1
InChIKeyKXVSDOWKKOQBHB-UHFFFAOYSA-N
MW131.15 g/mol
LogP-1.18
Rot. Bonds3

About lithium 1-but-3-enylpyrrolidin-5-ide

lithium 1-but-3-enylpyrrolidin-5-ide (PubChem CID 135082009) has the molecular formula C8H14LiN and a molecular weight of 131.15 g/mol. Its IUPAC name is lithium 1-but-3-enylpyrrolidin-5-ide.

Molecular Properties

Compound Namelithium 1-but-3-enylpyrrolidin-5-ide
PubChem CID135082009
Molecular FormulaC8H14LiN
Molecular Weight131.15 g/mol
Exact Mass131.13
IUPAC Namelithium 1-but-3-enylpyrrolidin-5-ide
SMILESC=CCCN1[CH-]CCC1.[Li+]
InChIInChI=1S/C8H14N.Li/c1-2-3-6-9-7-4-5-8-9;/h2,7H,1,3-6,8H2;/q-1;+1
InChIKeyKXVSDOWKKOQBHB-UHFFFAOYSA-N
XLogP-1.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-1.18
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

1-(3-Butenyl)pyrrolidine
CID 250707
Pyrrolidine, 1-(1-butenyl)-
CID 5357122
1-(4-Pentenyl)pyrrolidine
CID 558404
1-But-1-enylpyrrolidine
CID 139649
1-But-3-en-2-ylpyrrolidine
CID 57120204
(3R)-1-but-3-enyl-3-fluoropyrrolidine
CID 144686706
1-[(Z)-but-1-enyl]pyrrolidine
CID 153850756
1-Pyrrolidin-1-ylpent-4-ene-1-selone
CID 11298877
CID 135006925
CID 135006925
Lithium 1-prop-2-enylpyrrolidin-5-ide
CID 135048603
3,4-Dimethylidene-1-prop-2-enylpyrrolidine
CID 10964567
1-[(1E)-penta-1,4-dienyl]pyrrolidine
CID 13254195

Frequently Asked Questions

What is the IUPAC name of lithium 1-but-3-enylpyrrolidin-5-ide?
The IUPAC name of lithium 1-but-3-enylpyrrolidin-5-ide (CID 135082009) is lithium 1-but-3-enylpyrrolidin-5-ide.
What is the SMILES notation for lithium 1-but-3-enylpyrrolidin-5-ide?
The canonical SMILES for lithium 1-but-3-enylpyrrolidin-5-ide is C=CCCN1[CH-]CCC1.[Li+].
What is the InChIKey of lithium 1-but-3-enylpyrrolidin-5-ide?
The InChIKey is KXVSDOWKKOQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N.Li/c1-2-3-6-9-7-4-5-8-9;/h2,7H,1,3-6,8H2;/q-1;+1.
What are the key properties of lithium 1-but-3-enylpyrrolidin-5-ide?
lithium 1-but-3-enylpyrrolidin-5-ide has a molecular weight of 131.15 g/mol, XLogP of -1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-but-3-enylpyrrolidin-5-ide is sourced from PubChem (CID 135082009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).