1-(2-methylsulfanylbut-2-enyl)pyrrolidine

C9H17NS — CID 67815103

IUPAC1-(2-methylsulfanylbut-2-enyl)pyrrolidine
SMILESCC=C(CN1CCCC1)SC
InChIInChI=1S/C9H17NS/c1-3-9(11-2)8-10-6-4-5-7-10/h3H,4-8H2,1-2H3
InChIKeyZOZGRJQMLNJMNZ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.35
Rot. Bonds3

About 1-(2-methylsulfanylbut-2-enyl)pyrrolidine

1-(2-methylsulfanylbut-2-enyl)pyrrolidine (PubChem CID 67815103) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-(2-methylsulfanylbut-2-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylsulfanylbut-2-enyl)pyrrolidine
PubChem CID67815103
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-(2-methylsulfanylbut-2-enyl)pyrrolidine
SMILESCC=C(CN1CCCC1)SC
InChIInChI=1S/C9H17NS/c1-3-9(11-2)8-10-6-4-5-7-10/h3H,4-8H2,1-2H3
InChIKeyZOZGRJQMLNJMNZ-UHFFFAOYSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylbut-2-enyl)pyrrolidine?
The IUPAC name of 1-(2-methylsulfanylbut-2-enyl)pyrrolidine (CID 67815103) is 1-(2-methylsulfanylbut-2-enyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylsulfanylbut-2-enyl)pyrrolidine?
The canonical SMILES for 1-(2-methylsulfanylbut-2-enyl)pyrrolidine is CC=C(CN1CCCC1)SC.
What is the InChIKey of 1-(2-methylsulfanylbut-2-enyl)pyrrolidine?
The InChIKey is ZOZGRJQMLNJMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-9(11-2)8-10-6-4-5-7-10/h3H,4-8H2,1-2H3.
What are the key properties of 1-(2-methylsulfanylbut-2-enyl)pyrrolidine?
1-(2-methylsulfanylbut-2-enyl)pyrrolidine has a molecular weight of 171.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylbut-2-enyl)pyrrolidine is sourced from PubChem (CID 67815103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).