1-thiaspiro[4.5]dec-2-en-4-one

C9H12OS — CID 14591617

IUPAC1-thiaspiro[4.5]dec-2-en-4-one
SMILESO=C1C=CSC12CCCCC2
InChIInChI=1S/C9H12OS/c10-8-4-7-11-9(8)5-2-1-3-6-9/h4,7H,1-3,5-6H2
InChIKeyLTLBIPLVSBZCIY-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.52
Rot. Bonds

About 1-thiaspiro[4.5]dec-2-en-4-one

1-thiaspiro[4.5]dec-2-en-4-one (PubChem CID 14591617) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-thiaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name1-thiaspiro[4.5]dec-2-en-4-one
PubChem CID14591617
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name1-thiaspiro[4.5]dec-2-en-4-one
SMILESO=C1C=CSC12CCCCC2
InChIInChI=1S/C9H12OS/c10-8-4-7-11-9(8)5-2-1-3-6-9/h4,7H,1-3,5-6H2
InChIKeyLTLBIPLVSBZCIY-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 1-thiaspiro[4.5]dec-2-en-4-one (CID 14591617) is 1-thiaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 1-thiaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 1-thiaspiro[4.5]dec-2-en-4-one is O=C1C=CSC12CCCCC2.
What is the InChIKey of 1-thiaspiro[4.5]dec-2-en-4-one?
The InChIKey is LTLBIPLVSBZCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c10-8-4-7-11-9(8)5-2-1-3-6-9/h4,7H,1-3,5-6H2.
What are the key properties of 1-thiaspiro[4.5]dec-2-en-4-one?
1-thiaspiro[4.5]dec-2-en-4-one has a molecular weight of 168.26 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 14591617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).