8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene

C12H15NS — CID 121183486

IUPAC8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=CC2CCC(C1)N2Cc1ccsc1
InChIInChI=1S/C12H15NS/c1-2-11-4-5-12(3-1)13(11)8-10-6-7-14-9-10/h1-2,6-7,9,11-12H,3-5,8H2
InChIKeyYZEOVYKOGGUCMR-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.04
Rot. Bonds2

About 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene

8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 121183486) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID121183486
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=CC2CCC(C1)N2Cc1ccsc1
InChIInChI=1S/C12H15NS/c1-2-11-4-5-12(3-1)13(11)8-10-6-7-14-9-10/h1-2,6-7,9,11-12H,3-5,8H2
InChIKeyYZEOVYKOGGUCMR-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.04
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 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 121183486) is 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene is C1=CC2CCC(C1)N2Cc1ccsc1.
What is the InChIKey of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is YZEOVYKOGGUCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-11-4-5-12(3-1)13(11)8-10-6-7-14-9-10/h1-2,6-7,9,11-12H,3-5,8H2.
What are the key properties of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 205.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 121183486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).