2-ethenyl-4-methylsulfonylpyrrolidine

C7H13NO2S — CID 175280384

IUPAC2-ethenyl-4-methylsulfonylpyrrolidine
SMILESC=CC1CC(S(C)(=O)=O)CN1
InChIInChI=1S/C7H13NO2S/c1-3-6-4-7(5-8-6)11(2,9)10/h3,6-8H,1,4-5H2,2H3
InChIKeyUSCPNHIRLZESMS-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.05
Rot. Bonds2

About 2-ethenyl-4-methylsulfonylpyrrolidine

2-ethenyl-4-methylsulfonylpyrrolidine (PubChem CID 175280384) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-ethenyl-4-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-4-methylsulfonylpyrrolidine
PubChem CID175280384
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-ethenyl-4-methylsulfonylpyrrolidine
SMILESC=CC1CC(S(C)(=O)=O)CN1
InChIInChI=1S/C7H13NO2S/c1-3-6-4-7(5-8-6)11(2,9)10/h3,6-8H,1,4-5H2,2H3
InChIKeyUSCPNHIRLZESMS-UHFFFAOYSA-N
XLogP-0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-ethenyl-4-methylsulfonylpyrrolidine?
The IUPAC name of 2-ethenyl-4-methylsulfonylpyrrolidine (CID 175280384) is 2-ethenyl-4-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-ethenyl-4-methylsulfonylpyrrolidine?
The canonical SMILES for 2-ethenyl-4-methylsulfonylpyrrolidine is C=CC1CC(S(C)(=O)=O)CN1.
What is the InChIKey of 2-ethenyl-4-methylsulfonylpyrrolidine?
The InChIKey is USCPNHIRLZESMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-6-4-7(5-8-6)11(2,9)10/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 2-ethenyl-4-methylsulfonylpyrrolidine?
2-ethenyl-4-methylsulfonylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methylsulfonylpyrrolidine is sourced from PubChem (CID 175280384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).