1-prop-2-enylpyrrolidine-2-thiol

C7H13NS — CID 174312220

IUPAC1-prop-2-enylpyrrolidine-2-thiol
SMILESC=CCN1CCCC1S
InChIInChI=1S/C7H13NS/c1-2-5-8-6-3-4-7(8)9/h2,7,9H,1,3-6H2
InChIKeyXSGZJNNTBDKWQY-UHFFFAOYSA-N
MW143.26 g/mol
LogP1.52
Rot. Bonds2

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

1-prop-2-enylpyrrolidine-2-thiol (PubChem CID 174312220) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is 1-prop-2-enylpyrrolidine-2-thiol.

Molecular Properties

Compound Name1-prop-2-enylpyrrolidine-2-thiol
PubChem CID174312220
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name1-prop-2-enylpyrrolidine-2-thiol
SMILESC=CCN1CCCC1S
InChIInChI=1S/C7H13NS/c1-2-5-8-6-3-4-7(8)9/h2,7,9H,1,3-6H2
InChIKeyXSGZJNNTBDKWQY-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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-2-thiol?
The IUPAC name of 1-prop-2-enylpyrrolidine-2-thiol (CID 174312220) is 1-prop-2-enylpyrrolidine-2-thiol.
What is the SMILES notation for 1-prop-2-enylpyrrolidine-2-thiol?
The canonical SMILES for 1-prop-2-enylpyrrolidine-2-thiol is C=CCN1CCCC1S.
What is the InChIKey of 1-prop-2-enylpyrrolidine-2-thiol?
The InChIKey is XSGZJNNTBDKWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-5-8-6-3-4-7(8)9/h2,7,9H,1,3-6H2.
What are the key properties of 1-prop-2-enylpyrrolidine-2-thiol?
1-prop-2-enylpyrrolidine-2-thiol has a molecular weight of 143.26 g/mol, XLogP of 1.52, 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-2-thiol is sourced from PubChem (CID 174312220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).