1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine

C13H21NS — CID 177018471

IUPAC1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine
SMILESC=CC1=C(SC)CC(N2CCCC2)CC1
InChIInChI=1S/C13H21NS/c1-3-11-6-7-12(10-13(11)15-2)14-8-4-5-9-14/h3,12H,1,4-10H2,2H3
InChIKeyHIEDHHYSBWIYDG-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine

1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine (PubChem CID 177018471) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine
PubChem CID177018471
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine
SMILESC=CC1=C(SC)CC(N2CCCC2)CC1
InChIInChI=1S/C13H21NS/c1-3-11-6-7-12(10-13(11)15-2)14-8-4-5-9-14/h3,12H,1,4-10H2,2H3
InChIKeyHIEDHHYSBWIYDG-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine?
The IUPAC name of 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine (CID 177018471) is 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine is C=CC1=C(SC)CC(N2CCCC2)CC1.
What is the InChIKey of 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine?
The InChIKey is HIEDHHYSBWIYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-11-6-7-12(10-13(11)15-2)14-8-4-5-9-14/h3,12H,1,4-10H2,2H3.
What are the key properties of 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine?
1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine has a molecular weight of 223.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)pyrrolidine is sourced from PubChem (CID 177018471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).