prop-2-enyl pyrrolidine-1-carbodithioate

C8H13NS2 — CID 575099

IUPACprop-2-enyl pyrrolidine-1-carbodithioate
SMILESC=CCSC(=S)N1CCCC1
InChIInChI=1S/C8H13NS2/c1-2-7-11-8(10)9-5-3-4-6-9/h2H,1,3-7H2
InChIKeyGDQCWIUHBJJDNL-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.29
Rot. Bonds2

About prop-2-enyl pyrrolidine-1-carbodithioate

prop-2-enyl pyrrolidine-1-carbodithioate (PubChem CID 575099) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is prop-2-enyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Nameprop-2-enyl pyrrolidine-1-carbodithioate
PubChem CID575099
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Nameprop-2-enyl pyrrolidine-1-carbodithioate
SMILESC=CCSC(=S)N1CCCC1
InChIInChI=1S/C8H13NS2/c1-2-7-11-8(10)9-5-3-4-6-9/h2H,1,3-7H2
InChIKeyGDQCWIUHBJJDNL-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl pyrrolidine-1-carbodithioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl pyrrolidine-1-carbodithioate?
The IUPAC name of prop-2-enyl pyrrolidine-1-carbodithioate (CID 575099) is prop-2-enyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for prop-2-enyl pyrrolidine-1-carbodithioate?
The canonical SMILES for prop-2-enyl pyrrolidine-1-carbodithioate is C=CCSC(=S)N1CCCC1.
What is the InChIKey of prop-2-enyl pyrrolidine-1-carbodithioate?
The InChIKey is GDQCWIUHBJJDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-2-7-11-8(10)9-5-3-4-6-9/h2H,1,3-7H2.
What are the key properties of prop-2-enyl pyrrolidine-1-carbodithioate?
prop-2-enyl pyrrolidine-1-carbodithioate has a molecular weight of 187.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 575099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).