1-prop-2-enylpyrrolidine-3-thiol

C7H13NS — CID 87670206

IUPAC1-prop-2-enylpyrrolidine-3-thiol
SMILESC=CCN1CCC(S)C1
InChIInChI=1S/C7H13NS/c1-2-4-8-5-3-7(9)6-8/h2,7,9H,1,3-6H2
InChIKeyCTCGLFYJSRNKAB-UHFFFAOYSA-N
MW143.26 g/mol
LogP1.18
Rot. Bonds2

About 1-prop-2-enylpyrrolidine-3-thiol

1-prop-2-enylpyrrolidine-3-thiol (PubChem CID 87670206) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is 1-prop-2-enylpyrrolidine-3-thiol.

Molecular Properties

Compound Name1-prop-2-enylpyrrolidine-3-thiol
PubChem CID87670206
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name1-prop-2-enylpyrrolidine-3-thiol
SMILESC=CCN1CCC(S)C1
InChIInChI=1S/C7H13NS/c1-2-4-8-5-3-7(9)6-8/h2,7,9H,1,3-6H2
InChIKeyCTCGLFYJSRNKAB-UHFFFAOYSA-N
XLogP1.18
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrrolidine-3-thiol?
The IUPAC name of 1-prop-2-enylpyrrolidine-3-thiol (CID 87670206) is 1-prop-2-enylpyrrolidine-3-thiol.
What is the SMILES notation for 1-prop-2-enylpyrrolidine-3-thiol?
The canonical SMILES for 1-prop-2-enylpyrrolidine-3-thiol is C=CCN1CCC(S)C1.
What is the InChIKey of 1-prop-2-enylpyrrolidine-3-thiol?
The InChIKey is CTCGLFYJSRNKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-4-8-5-3-7(9)6-8/h2,7,9H,1,3-6H2.
What are the key properties of 1-prop-2-enylpyrrolidine-3-thiol?
1-prop-2-enylpyrrolidine-3-thiol has a molecular weight of 143.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrrolidine-3-thiol is sourced from PubChem (CID 87670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).