2-ethenyl-1-(thietan-3-yl)pyrrolidine

C9H15NS — CID 167204667

IUPAC2-ethenyl-1-(thietan-3-yl)pyrrolidine
SMILESC=CC1CCCN1C1CSC1
InChIInChI=1S/C9H15NS/c1-2-8-4-3-5-10(8)9-6-11-7-9/h2,8-9H,1,3-7H2
InChIKeyKPRYJZUATKWPEJ-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.75
Rot. Bonds2

About 2-ethenyl-1-(thietan-3-yl)pyrrolidine

2-ethenyl-1-(thietan-3-yl)pyrrolidine (PubChem CID 167204667) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-ethenyl-1-(thietan-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-ethenyl-1-(thietan-3-yl)pyrrolidine
PubChem CID167204667
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-ethenyl-1-(thietan-3-yl)pyrrolidine
SMILESC=CC1CCCN1C1CSC1
InChIInChI=1S/C9H15NS/c1-2-8-4-3-5-10(8)9-6-11-7-9/h2,8-9H,1,3-7H2
InChIKeyKPRYJZUATKWPEJ-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(thietan-3-yl)pyrrolidine?
The IUPAC name of 2-ethenyl-1-(thietan-3-yl)pyrrolidine (CID 167204667) is 2-ethenyl-1-(thietan-3-yl)pyrrolidine.
What is the SMILES notation for 2-ethenyl-1-(thietan-3-yl)pyrrolidine?
The canonical SMILES for 2-ethenyl-1-(thietan-3-yl)pyrrolidine is C=CC1CCCN1C1CSC1.
What is the InChIKey of 2-ethenyl-1-(thietan-3-yl)pyrrolidine?
The InChIKey is KPRYJZUATKWPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-8-4-3-5-10(8)9-6-11-7-9/h2,8-9H,1,3-7H2.
What are the key properties of 2-ethenyl-1-(thietan-3-yl)pyrrolidine?
2-ethenyl-1-(thietan-3-yl)pyrrolidine has a molecular weight of 169.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(thietan-3-yl)pyrrolidine is sourced from PubChem (CID 167204667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).