(3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one

C15H11NO2S — CID 2199895

IUPAC(3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one
SMILESCN1C(=O)/C(=C\C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H11NO2S/c1-16-12-6-3-2-5-10(12)11(15(16)18)9-13(17)14-7-4-8-19-14/h2-9H,1H3/b11-9-
InChIKeyFXRHSOJHHUQOEY-LUAWRHEFSA-N
MW269.32 g/mol
LogP2.99
Rot. Bonds2

About (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one

(3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one (PubChem CID 2199895) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one
PubChem CID2199895
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name(3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one
SMILESCN1C(=O)/C(=C\C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H11NO2S/c1-16-12-6-3-2-5-10(12)11(15(16)18)9-13(17)14-7-4-8-19-14/h2-9H,1H3/b11-9-
InChIKeyFXRHSOJHHUQOEY-LUAWRHEFSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one?
The IUPAC name of (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one (CID 2199895) is (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one.
What is the SMILES notation for (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one?
The canonical SMILES for (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one is CN1C(=O)/C(=C\C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one?
The InChIKey is FXRHSOJHHUQOEY-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-16-12-6-3-2-5-10(12)11(15(16)18)9-13(17)14-7-4-8-19-14/h2-9H,1H3/b11-9-.
What are the key properties of (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one?
(3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one has a molecular weight of 269.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one is sourced from PubChem (CID 2199895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).