1-pyrrolidin-1-ylprop-2-ene-1-thione

C7H11NS — CID 175290912

IUPAC1-pyrrolidin-1-ylprop-2-ene-1-thione
SMILESC=CC(=S)N1CCCC1
InChIInChI=1S/C7H11NS/c1-2-7(9)8-5-3-4-6-8/h2H,1,3-6H2
InChIKeyNOLTXWQGUXAQKL-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.60
Rot. Bonds1

About 1-pyrrolidin-1-ylprop-2-ene-1-thione

1-pyrrolidin-1-ylprop-2-ene-1-thione (PubChem CID 175290912) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylprop-2-ene-1-thione.

Molecular Properties

Compound Name1-pyrrolidin-1-ylprop-2-ene-1-thione
PubChem CID175290912
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name1-pyrrolidin-1-ylprop-2-ene-1-thione
SMILESC=CC(=S)N1CCCC1
InChIInChI=1S/C7H11NS/c1-2-7(9)8-5-3-4-6-8/h2H,1,3-6H2
InChIKeyNOLTXWQGUXAQKL-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-pyrrolidin-1-ylprop-2-ene-1-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

1-(Prop-2-en-1-yl)pyrrolidine-2-thione
CID 12678663
1-Prop-2-enylpyrrolidine-3-thione
CID 173132131
(Z)-1-pyrrolidin-1-ylbut-2-ene-1-thione
CID 45118426
1-Pyrrolidin-1-ylbut-2-ene-1-thione
CID 85960079

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylprop-2-ene-1-thione?
The IUPAC name of 1-pyrrolidin-1-ylprop-2-ene-1-thione (CID 175290912) is 1-pyrrolidin-1-ylprop-2-ene-1-thione.
What is the SMILES notation for 1-pyrrolidin-1-ylprop-2-ene-1-thione?
The canonical SMILES for 1-pyrrolidin-1-ylprop-2-ene-1-thione is C=CC(=S)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylprop-2-ene-1-thione?
The InChIKey is NOLTXWQGUXAQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-7(9)8-5-3-4-6-8/h2H,1,3-6H2.
What are the key properties of 1-pyrrolidin-1-ylprop-2-ene-1-thione?
1-pyrrolidin-1-ylprop-2-ene-1-thione has a molecular weight of 141.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylprop-2-ene-1-thione is sourced from PubChem (CID 175290912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).