1-propa-1,2-dienylsulfonylpyrrolidine

C7H11NO2S — CID 139931075

IUPAC1-propa-1,2-dienylsulfonylpyrrolidine
SMILESC=C=CS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H11NO2S/c1-2-7-11(9,10)8-5-3-4-6-8/h7H,1,3-6H2
InChIKeyCOORUTYZCSLWMW-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.71
Rot. Bonds2

About 1-propa-1,2-dienylsulfonylpyrrolidine

1-propa-1,2-dienylsulfonylpyrrolidine (PubChem CID 139931075) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-propa-1,2-dienylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-propa-1,2-dienylsulfonylpyrrolidine
PubChem CID139931075
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-propa-1,2-dienylsulfonylpyrrolidine
SMILESC=C=CS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H11NO2S/c1-2-7-11(9,10)8-5-3-4-6-8/h7H,1,3-6H2
InChIKeyCOORUTYZCSLWMW-UHFFFAOYSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propa-1,2-dienylsulfonylpyrrolidine?
The IUPAC name of 1-propa-1,2-dienylsulfonylpyrrolidine (CID 139931075) is 1-propa-1,2-dienylsulfonylpyrrolidine.
What is the SMILES notation for 1-propa-1,2-dienylsulfonylpyrrolidine?
The canonical SMILES for 1-propa-1,2-dienylsulfonylpyrrolidine is C=C=CS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-propa-1,2-dienylsulfonylpyrrolidine?
The InChIKey is COORUTYZCSLWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-2-7-11(9,10)8-5-3-4-6-8/h7H,1,3-6H2.
What are the key properties of 1-propa-1,2-dienylsulfonylpyrrolidine?
1-propa-1,2-dienylsulfonylpyrrolidine has a molecular weight of 173.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propa-1,2-dienylsulfonylpyrrolidine is sourced from PubChem (CID 139931075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).