3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one

C15H12OS — CID 104788096

IUPAC3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one
SMILESO=C1C=C(Sc2ccc3ccccc3c2)CC1
InChIInChI=1S/C15H12OS/c16-13-6-8-15(10-13)17-14-7-5-11-3-1-2-4-12(11)9-14/h1-5,7,9-10H,6,8H2
InChIKeyGWUWIEMSHJAOJJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.18
Rot. Bonds2

About 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one

3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one (PubChem CID 104788096) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one
PubChem CID104788096
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one
SMILESO=C1C=C(Sc2ccc3ccccc3c2)CC1
InChIInChI=1S/C15H12OS/c16-13-6-8-15(10-13)17-14-7-5-11-3-1-2-4-12(11)9-14/h1-5,7,9-10H,6,8H2
InChIKeyGWUWIEMSHJAOJJ-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one?
The IUPAC name of 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one (CID 104788096) is 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one.
What is the SMILES notation for 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one?
The canonical SMILES for 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one is O=C1C=C(Sc2ccc3ccccc3c2)CC1.
What is the InChIKey of 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one?
The InChIKey is GWUWIEMSHJAOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c16-13-6-8-15(10-13)17-14-7-5-11-3-1-2-4-12(11)9-14/h1-5,7,9-10H,6,8H2.
What are the key properties of 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one?
3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one has a molecular weight of 240.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfanylcyclopent-2-en-1-one is sourced from PubChem (CID 104788096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).