1-prop-2-enylpyrrolidine-3-thione

C7H11NS — CID 173132131

IUPAC1-prop-2-enylpyrrolidine-3-thione
SMILESC=CCN1CCC(=S)C1
InChIInChI=1S/C7H11NS/c1-2-4-8-5-3-7(9)6-8/h2H,1,3-6H2
InChIKeyJELSSGLTGPNRNS-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.25
Rot. Bonds2

About 1-prop-2-enylpyrrolidine-3-thione

1-prop-2-enylpyrrolidine-3-thione (PubChem CID 173132131) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 1-prop-2-enylpyrrolidine-3-thione.

Molecular Properties

Compound Name1-prop-2-enylpyrrolidine-3-thione
PubChem CID173132131
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name1-prop-2-enylpyrrolidine-3-thione
SMILESC=CCN1CCC(=S)C1
InChIInChI=1S/C7H11NS/c1-2-4-8-5-3-7(9)6-8/h2H,1,3-6H2
InChIKeyJELSSGLTGPNRNS-UHFFFAOYSA-N
XLogP1.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-prop-2-enylpyrrolidine-3-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrolidine, 1-(2-propenyl)-
CID 558434
1-(Prop-2-en-1-yl)pyrrolidine-2-thione
CID 12678663
Lithium 1-prop-2-enylpyrrolidin-5-ide
CID 135048603
1-Prop-2-enylpyrrolidine;hydrochloride
CID 69329723
Lithium 1-(pyrrolidin-1-yl)prop-2-en-1-ide
CID 71320619
1-Pyrrolidin-1-ylprop-2-ene-1-thiol
CID 87606252
1-Prop-2-enylpyrrolidine-3-thiol
CID 87670206
3-Pyrrolidin-1-ylprop-1-ene-1-thiol
CID 173118601
1-prop-2-enyl(513C)azolidine
CID 173137349
1-prop-2-enyl(514C)azolidine
CID 173160006
Lithium;hydride;1-prop-2-enylpyrrolidine
CID 174146480
1-Prop-2-enylpyrrolidine-2-thiol
CID 174312220

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrrolidine-3-thione?
The IUPAC name of 1-prop-2-enylpyrrolidine-3-thione (CID 173132131) is 1-prop-2-enylpyrrolidine-3-thione.
What is the SMILES notation for 1-prop-2-enylpyrrolidine-3-thione?
The canonical SMILES for 1-prop-2-enylpyrrolidine-3-thione is C=CCN1CCC(=S)C1.
What is the InChIKey of 1-prop-2-enylpyrrolidine-3-thione?
The InChIKey is JELSSGLTGPNRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-4-8-5-3-7(9)6-8/h2H,1,3-6H2.
What are the key properties of 1-prop-2-enylpyrrolidine-3-thione?
1-prop-2-enylpyrrolidine-3-thione has a molecular weight of 141.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrrolidine-3-thione is sourced from PubChem (CID 173132131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).