5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one

C13H12OS — CID 142185092

IUPAC5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one
SMILESCC1=CC2(CS1)CC(=O)c1ccccc12
InChIInChI=1S/C13H12OS/c1-9-6-13(8-15-9)7-12(14)10-4-2-3-5-11(10)13/h2-6H,7-8H2,1H3
InChIKeyLBFXWUDBEFOEFG-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.16
Rot. Bonds

About 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one

5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one (PubChem CID 142185092) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one.

Molecular Properties

Compound Name5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one
PubChem CID142185092
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one
SMILESCC1=CC2(CS1)CC(=O)c1ccccc12
InChIInChI=1S/C13H12OS/c1-9-6-13(8-15-9)7-12(14)10-4-2-3-5-11(10)13/h2-6H,7-8H2,1H3
InChIKeyLBFXWUDBEFOEFG-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-methyl-2H-inden-1-one
CID 122380797
(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 135173286
6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135045307
(4aR,10aS)-4a,10a-dimethyl-2,3,4,10-tetrahydro-1H-phenanthren-9-one
CID 94034647
spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione
CID 14141979
(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
CID 102415186
2',7'-dimethylspiro[cyclooctane-1,9'-fluorene];2',7'-dimethylspiro[2H-indene-3,9'-fluorene]-1-one;2'-methylspiro[2H-indene-3,9'-fluorene]-1-one
CID 159075202
3,3,4-trimethyl-2H-inden-1-one
CID 22924740
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
CID 132519091
spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
CID 18673582
3,3,6-trimethyl-2H-inden-1-one
CID 594538
4,4-dimethyl-2-methylidene-3H-naphthalen-1-one
CID 57081376

Frequently Asked Questions

What is the IUPAC name of 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one?
The IUPAC name of 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one (CID 142185092) is 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one.
What is the SMILES notation for 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one?
The canonical SMILES for 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one is CC1=CC2(CS1)CC(=O)c1ccccc12.
What is the InChIKey of 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one?
The InChIKey is LBFXWUDBEFOEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c1-9-6-13(8-15-9)7-12(14)10-4-2-3-5-11(10)13/h2-6H,7-8H2,1H3.
What are the key properties of 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one?
5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one has a molecular weight of 216.31 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one is sourced from PubChem (CID 142185092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).