1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine

C10H17NS — CID 59265935

IUPAC1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine
SMILESC(=C/N1CCCC1)\C1CCSC1
InChIInChI=1S/C10H17NS/c1-2-6-11(5-1)7-3-10-4-8-12-9-10/h3,7,10H,1-2,4-6,8-9H2/b7-3+
InChIKeyYUPYIZYFTGCGQJ-XVNBXDOJSA-N
MW183.32 g/mol
LogP2.35
Rot. Bonds2

About 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine

1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine (PubChem CID 59265935) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine
PubChem CID59265935
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine
SMILESC(=C/N1CCCC1)\C1CCSC1
InChIInChI=1S/C10H17NS/c1-2-6-11(5-1)7-3-10-4-8-12-9-10/h3,7,10H,1-2,4-6,8-9H2/b7-3+
InChIKeyYUPYIZYFTGCGQJ-XVNBXDOJSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
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-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine?
The IUPAC name of 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine (CID 59265935) is 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine?
The canonical SMILES for 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine is C(=C/N1CCCC1)\C1CCSC1.
What is the InChIKey of 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine?
The InChIKey is YUPYIZYFTGCGQJ-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-6-11(5-1)7-3-10-4-8-12-9-10/h3,7,10H,1-2,4-6,8-9H2/b7-3+.
What are the key properties of 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine?
1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine has a molecular weight of 183.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 59265935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).