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

C14H9NO2S — CID 948464

IUPAC(3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/C(=O)c1cccs1
InChIInChI=1S/C14H9NO2S/c16-12(13-6-3-7-18-13)8-10-9-4-1-2-5-11(9)15-14(10)17/h1-8H,(H,15,17)/b10-8-
InChIKeyDTQVSLRQCBCDCV-NTMALXAHSA-N
MW255.30 g/mol
LogP2.97
Rot. Bonds2

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

(3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one (PubChem CID 948464) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is (3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
PubChem CID948464
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name(3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/C(=O)c1cccs1
InChIInChI=1S/C14H9NO2S/c16-12(13-6-3-7-18-13)8-10-9-4-1-2-5-11(9)15-14(10)17/h1-8H,(H,15,17)/b10-8-
InChIKeyDTQVSLRQCBCDCV-NTMALXAHSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
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)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one (CID 948464) is (3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/C(=O)c1cccs1.
What is the InChIKey of (3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one?
The InChIKey is DTQVSLRQCBCDCV-NTMALXAHSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-12(13-6-3-7-18-13)8-10-9-4-1-2-5-11(9)15-14(10)17/h1-8H,(H,15,17)/b10-8-.
What are the key properties of (3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one?
(3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one has a molecular weight of 255.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one is sourced from PubChem (CID 948464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).