ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine

C11H15NS — CID 142249207

IUPACethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine
SMILESC=C.CC1SCC2=CC=CCN=C21
InChIInChI=1S/C9H11NS.C2H4/c1-7-9-8(6-11-7)4-2-3-5-10-9;1-2/h2-4,7H,5-6H2,1H3;1-2H2
InChIKeyRNRAPSNICWJSPF-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.86
Rot. Bonds

About ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine

ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine (PubChem CID 142249207) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine.

Molecular Properties

Compound Nameethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine
PubChem CID142249207
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Nameethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine
SMILESC=C.CC1SCC2=CC=CCN=C21
InChIInChI=1S/C9H11NS.C2H4/c1-7-9-8(6-11-7)4-2-3-5-10-9;1-2/h2-4,7H,5-6H2,1H3;1-2H2
InChIKeyRNRAPSNICWJSPF-UHFFFAOYSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-Octadienyl)-4,5-dimethyl-3-thiazoline, cis
CID 91750856
2-(1,3-Octadienyl)-4,5-dimethyl-3-thiazoline, trans
CID 91750857
1,3,4,4a-Tetrahydrothiopyrano[4,3-b]indole
CID 70517627
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(6E)-N-ethyl-6-(3-propan-2-ylsulfanylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 139572395
2H-thieno[2,3-c][1]benzazepine
CID 154447875
(2E)-N-ethenyl-2-ethylidene-5H-cyclohepta[b]thiophen-3-imine
CID 166700947
2,5-dimethyl-7H-thieno[2,3-d]azepine
CID 167073594
8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine
CID 142249208

Frequently Asked Questions

What is the IUPAC name of ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine?
The IUPAC name of ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine (CID 142249207) is ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine.
What is the SMILES notation for ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine?
The canonical SMILES for ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine is C=C.CC1SCC2=CC=CCN=C21.
What is the InChIKey of ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine?
The InChIKey is RNRAPSNICWJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS.C2H4/c1-7-9-8(6-11-7)4-2-3-5-10-9;1-2/h2-4,7H,5-6H2,1H3;1-2H2.
What are the key properties of ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine?
ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine has a molecular weight of 193.31 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;8-methyl-6,8-dihydro-2H-thieno[3,4-b]azepine is sourced from PubChem (CID 142249207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).