1-prop-2-enylpyrrolidine-2-thione

C7H11NS — CID 12678663

IUPAC1-prop-2-enylpyrrolidine-2-thione
SMILESC=CCN1CCCC1=S
InChIInChI=1S/C7H11NS/c1-2-5-8-6-3-4-7(8)9/h2H,1,3-6H2
InChIKeyITCHJATYBDIRAO-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.60
Rot. Bonds2

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

1-prop-2-enylpyrrolidine-2-thione (PubChem CID 12678663) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 1-prop-2-enylpyrrolidine-2-thione.

Molecular Properties

Compound Name1-prop-2-enylpyrrolidine-2-thione
PubChem CID12678663
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name1-prop-2-enylpyrrolidine-2-thione
SMILESC=CCN1CCCC1=S
InChIInChI=1S/C7H11NS/c1-2-5-8-6-3-4-7(8)9/h2H,1,3-6H2
InChIKeyITCHJATYBDIRAO-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Pyrrolidine, 1-(2-propenyl)-
CID 558434
1-But-3-enylpyrrolidine-2,5-dithione
CID 85787972
N-propenylthiopyrrolidone
CID 129802994
1-Pyrrolidin-1-ylprop-2-ene-1-thiol
CID 87606252
1-Prop-2-enylpyrrolidine-3-thiol
CID 87670206
1-prop-2-enyl-2H-pyrrole-5-thione
CID 88097337
3-Pyrrolidin-1-ylprop-1-ene-1-thiol
CID 173118601
1-Prop-2-enylpyrrolidine-3-thione
CID 173132131
1-prop-2-enyl(513C)azolidine
CID 173137349
1-prop-2-enyl(514C)azolidine
CID 173160006
1-Prop-2-enylpyrrolidine-2-thiol
CID 174312220
1-Pyrrolidin-1-ylprop-2-ene-1-thione
CID 175290912

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrrolidine-2-thione?
The IUPAC name of 1-prop-2-enylpyrrolidine-2-thione (CID 12678663) is 1-prop-2-enylpyrrolidine-2-thione.
What is the SMILES notation for 1-prop-2-enylpyrrolidine-2-thione?
The canonical SMILES for 1-prop-2-enylpyrrolidine-2-thione is C=CCN1CCCC1=S.
What is the InChIKey of 1-prop-2-enylpyrrolidine-2-thione?
The InChIKey is ITCHJATYBDIRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-5-8-6-3-4-7(8)9/h2H,1,3-6H2.
What are the key properties of 1-prop-2-enylpyrrolidine-2-thione?
1-prop-2-enylpyrrolidine-2-thione has a molecular weight of 141.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrrolidine-2-thione is sourced from PubChem (CID 12678663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).