(3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one

C13H9NOS — CID 727529

IUPAC(3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cccs1
InChIInChI=1S/C13H9NOS/c15-13-11(8-9-4-3-7-16-9)10-5-1-2-6-12(10)14-13/h1-8H,(H,14,15)/b11-8-
InChIKeyQMTIIBUDOBNABZ-FLIBITNWSA-N
MW227.29 g/mol
LogP3.24
Rot. Bonds1

About (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one

(3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one (PubChem CID 727529) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
PubChem CID727529
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name(3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cccs1
InChIInChI=1S/C13H9NOS/c15-13-11(8-9-4-3-7-16-9)10-5-1-2-6-12(10)14-13/h1-8H,(H,14,15)/b11-8-
InChIKeyQMTIIBUDOBNABZ-FLIBITNWSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one (CID 727529) is (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1cccs1.
What is the InChIKey of (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is QMTIIBUDOBNABZ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H9NOS/c15-13-11(8-9-4-3-7-16-9)10-5-1-2-6-12(10)14-13/h1-8H,(H,14,15)/b11-8-.
What are the key properties of (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one?
(3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 227.29 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 727529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).