7-ethenyl-5-methylcyclopenta[c]thiopyran

C11H10S — CID 174847681

IUPAC7-ethenyl-5-methylcyclopenta[c]thiopyran
SMILESC=Cc1cc(C)c2ccscc1-2
InChIInChI=1S/C11H10S/c1-3-9-6-8(2)10-4-5-12-7-11(9)10/h3-7H,1H2,2H3
InChIKeyBISBZGIZHFJEMV-UHFFFAOYSA-N
MW174.27 g/mol
LogP3.80
Rot. Bonds1

About 7-ethenyl-5-methylcyclopenta[c]thiopyran

7-ethenyl-5-methylcyclopenta[c]thiopyran (PubChem CID 174847681) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is 7-ethenyl-5-methylcyclopenta[c]thiopyran.

Molecular Properties

Compound Name7-ethenyl-5-methylcyclopenta[c]thiopyran
PubChem CID174847681
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Name7-ethenyl-5-methylcyclopenta[c]thiopyran
SMILESC=Cc1cc(C)c2ccscc1-2
InChIInChI=1S/C11H10S/c1-3-9-6-8(2)10-4-5-12-7-11(9)10/h3-7H,1H2,2H3
InChIKeyBISBZGIZHFJEMV-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-5-methylcyclopenta[c]thiopyran?
The IUPAC name of 7-ethenyl-5-methylcyclopenta[c]thiopyran (CID 174847681) is 7-ethenyl-5-methylcyclopenta[c]thiopyran.
What is the SMILES notation for 7-ethenyl-5-methylcyclopenta[c]thiopyran?
The canonical SMILES for 7-ethenyl-5-methylcyclopenta[c]thiopyran is C=Cc1cc(C)c2ccscc1-2.
What is the InChIKey of 7-ethenyl-5-methylcyclopenta[c]thiopyran?
The InChIKey is BISBZGIZHFJEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S/c1-3-9-6-8(2)10-4-5-12-7-11(9)10/h3-7H,1H2,2H3.
What are the key properties of 7-ethenyl-5-methylcyclopenta[c]thiopyran?
7-ethenyl-5-methylcyclopenta[c]thiopyran has a molecular weight of 174.27 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-5-methylcyclopenta[c]thiopyran is sourced from PubChem (CID 174847681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).