1-prop-2-enylsulfonylpyrrolidine

C7H13NO2S — CID 67309230

IUPAC1-prop-2-enylsulfonylpyrrolidine
SMILESC=CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H13NO2S/c1-2-7-11(9,10)8-5-3-4-6-8/h2H,1,3-7H2
InChIKeyBOYADBYVJCKKNN-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.60
Rot. Bonds3

About 1-prop-2-enylsulfonylpyrrolidine

1-prop-2-enylsulfonylpyrrolidine (PubChem CID 67309230) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-prop-2-enylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-prop-2-enylsulfonylpyrrolidine
PubChem CID67309230
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name1-prop-2-enylsulfonylpyrrolidine
SMILESC=CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H13NO2S/c1-2-7-11(9,10)8-5-3-4-6-8/h2H,1,3-7H2
InChIKeyBOYADBYVJCKKNN-UHFFFAOYSA-N
XLogP0.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfonylpyrrolidine?
The IUPAC name of 1-prop-2-enylsulfonylpyrrolidine (CID 67309230) is 1-prop-2-enylsulfonylpyrrolidine.
What is the SMILES notation for 1-prop-2-enylsulfonylpyrrolidine?
The canonical SMILES for 1-prop-2-enylsulfonylpyrrolidine is C=CCS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-prop-2-enylsulfonylpyrrolidine?
The InChIKey is BOYADBYVJCKKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-7-11(9,10)8-5-3-4-6-8/h2H,1,3-7H2.
What are the key properties of 1-prop-2-enylsulfonylpyrrolidine?
1-prop-2-enylsulfonylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfonylpyrrolidine is sourced from PubChem (CID 67309230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).