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

C10H6NO3- — CID 2345191

IUPAC(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
SMILESO=C([O-])/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C10H7NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-5H,(H,11,14)(H,12,13)/p-1/b7-5+
InChIKeyLYYPOGWFEKPXJQ-FNORWQNLSA-M
MW188.16 g/mol
LogP-0.23
Rot. Bonds1

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

(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate (PubChem CID 2345191) has the molecular formula C10H6NO3- and a molecular weight of 188.16 g/mol. Its IUPAC name is (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate.

Molecular Properties

Compound Name(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
PubChem CID2345191
Molecular FormulaC10H6NO3-
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
SMILESO=C([O-])/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C10H7NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-5H,(H,11,14)(H,12,13)/p-1/b7-5+
InChIKeyLYYPOGWFEKPXJQ-FNORWQNLSA-M
XLogP-0.23
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.23
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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Related Compounds

(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide
CID 72560727
(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one
CID 10446890
3-[2-(5-methylfuran-2-yl)-2-oxoethylidene]-1H-indol-2-one
CID 71835393
3-[2-(3-nitrophenyl)-2-oxoethylidene]-1H-indol-2-one
CID 948057
(3E)-3-(2-hydroxypropylidene)-1H-indol-2-one
CID 177425892
(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947880
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942
N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide
CID 163155804
CID 57369962
CID 57369962

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate?
The IUPAC name of (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate (CID 2345191) is (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate.
What is the SMILES notation for (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate?
The canonical SMILES for (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate is O=C([O-])/C=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate?
The InChIKey is LYYPOGWFEKPXJQ-FNORWQNLSA-M. The full InChI is InChI=1S/C10H7NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-5H,(H,11,14)(H,12,13)/p-1/b7-5+.
What are the key properties of (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate?
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate has a molecular weight of 188.16 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-oxo-1H-indol-3-ylidene)acetate is sourced from PubChem (CID 2345191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).