1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine

C8H15NOS — CID 166144268

IUPAC1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine
SMILESC/C=C(\C)S(=O)N1CCCC1
InChIInChI=1S/C8H15NOS/c1-3-8(2)11(10)9-6-4-5-7-9/h3H,4-7H2,1-2H3/b8-3+
InChIKeyZLRRWBIBMAXUHI-FPYGCLRLSA-N
MW173.28 g/mol
LogP1.67
Rot. Bonds2

About 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine

1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine (PubChem CID 166144268) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine
PubChem CID166144268
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine
SMILESC/C=C(\C)S(=O)N1CCCC1
InChIInChI=1S/C8H15NOS/c1-3-8(2)11(10)9-6-4-5-7-9/h3H,4-7H2,1-2H3/b8-3+
InChIKeyZLRRWBIBMAXUHI-FPYGCLRLSA-N
XLogP1.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine?
The IUPAC name of 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine (CID 166144268) is 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine is C/C=C(\C)S(=O)N1CCCC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine?
The InChIKey is ZLRRWBIBMAXUHI-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H15NOS/c1-3-8(2)11(10)9-6-4-5-7-9/h3H,4-7H2,1-2H3/b8-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine?
1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine has a molecular weight of 173.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]sulfinylpyrrolidine is sourced from PubChem (CID 166144268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).