spiro[1H-indole-2,2'-3H-thiophene]-3-one

C11H9NOS — CID 171487284

IUPACspiro[1H-indole-2,2'-3H-thiophene]-3-one
SMILESO=C1c2ccccc2NC12CC=CS2
InChIInChI=1S/C11H9NOS/c13-10-8-4-1-2-5-9(8)12-11(10)6-3-7-14-11/h1-5,7,12H,6H2
InChIKeyACRXPHKBFWGJBP-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.64
Rot. Bonds

About spiro[1H-indole-2,2'-3H-thiophene]-3-one

spiro[1H-indole-2,2'-3H-thiophene]-3-one (PubChem CID 171487284) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is spiro[1H-indole-2,2'-3H-thiophene]-3-one.

Molecular Properties

Compound Namespiro[1H-indole-2,2'-3H-thiophene]-3-one
PubChem CID171487284
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Namespiro[1H-indole-2,2'-3H-thiophene]-3-one
SMILESO=C1c2ccccc2NC12CC=CS2
InChIInChI=1S/C11H9NOS/c13-10-8-4-1-2-5-9(8)12-11(10)6-3-7-14-11/h1-5,7,12H,6H2
InChIKeyACRXPHKBFWGJBP-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-spiro[1H-indole-2,2'-oxane]-3-one
CID 129382796
spiro[1H-indole-2,2'-oxane]-3-one
CID 16720371
spiro[1H-indole-2,2'-oxolane]-3-one
CID 130005415
2-ethenyl-2-phenyl-1H-indol-3-one
CID 11118014
spiro[1H-indole-2,3'-2-benzofuran]-1',3-dione
CID 132536023
2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
CID 3793206
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
copper;1H-indole-2,3-dione
CID 70626411
2-methyl-2-(2-oxopropyl)-1H-indol-3-one
CID 121014651
3-chloro-3-phenyl-1H-quinoline-2,4-dione
CID 2785082
2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
1H-indole-2,3-dione;methylsulfinylmethane
CID 89487830

Frequently Asked Questions

What is the IUPAC name of spiro[1H-indole-2,2'-3H-thiophene]-3-one?
The IUPAC name of spiro[1H-indole-2,2'-3H-thiophene]-3-one (CID 171487284) is spiro[1H-indole-2,2'-3H-thiophene]-3-one.
What is the SMILES notation for spiro[1H-indole-2,2'-3H-thiophene]-3-one?
The canonical SMILES for spiro[1H-indole-2,2'-3H-thiophene]-3-one is O=C1c2ccccc2NC12CC=CS2.
What is the InChIKey of spiro[1H-indole-2,2'-3H-thiophene]-3-one?
The InChIKey is ACRXPHKBFWGJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-10-8-4-1-2-5-9(8)12-11(10)6-3-7-14-11/h1-5,7,12H,6H2.
What are the key properties of spiro[1H-indole-2,2'-3H-thiophene]-3-one?
spiro[1H-indole-2,2'-3H-thiophene]-3-one has a molecular weight of 203.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-indole-2,2'-3H-thiophene]-3-one is sourced from PubChem (CID 171487284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).