methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate

C11H9NO3 — CID 806108

IUPACmethyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
SMILESCOC(=O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C11H9NO3/c1-15-10(13)6-8-7-4-2-3-5-9(7)12-11(8)14/h2-6H,1H3,(H,12,14)/b8-6+
InChIKeyVEXDCJKLJMXQAF-SOFGYWHQSA-N
MW203.20 g/mol
LogP1.20
Rot. Bonds1

About methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate

methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate (PubChem CID 806108) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
PubChem CID806108
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
SMILESCOC(=O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C11H9NO3/c1-15-10(13)6-8-7-4-2-3-5-9(7)12-11(8)14/h2-6H,1H3,(H,12,14)/b8-6+
InChIKeyVEXDCJKLJMXQAF-SOFGYWHQSA-N
XLogP1.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.20
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 methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate (CID 806108) is methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate is COC(=O)/C=C1/C(=O)Nc2ccccc21.
What is the InChIKey of methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate?
The InChIKey is VEXDCJKLJMXQAF-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-10(13)6-8-7-4-2-3-5-9(7)12-11(8)14/h2-6H,1H3,(H,12,14)/b8-6+.
What are the key properties of methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate?
methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate has a molecular weight of 203.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate is sourced from PubChem (CID 806108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).