ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate

C14H15NO4 — CID 117406951

IUPACethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc2c(c1)C(C)C(=O)N2C
InChIInChI=1S/C14H15NO4/c1-4-19-14(18)12(16)9-5-6-11-10(7-9)8(2)13(17)15(11)3/h5-8H,4H2,1-3H3
InChIKeyPZUYBFZOBOEQOI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.51
Rot. Bonds3

About ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate

ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate (PubChem CID 117406951) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate
PubChem CID117406951
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc2c(c1)C(C)C(=O)N2C
InChIInChI=1S/C14H15NO4/c1-4-19-14(18)12(16)9-5-6-11-10(7-9)8(2)13(17)15(11)3/h5-8H,4H2,1-3H3
InChIKeyPZUYBFZOBOEQOI-UHFFFAOYSA-N
XLogP1.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid
CID 98586131
(3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one
CID 86313571
(1,3-dimethyl-2-oxo-3H-indol-5-yl) acetate
CID 10867765
ethyl 5-bromo-1-methyl-2-oxo-3H-indole-3-carboxylate
CID 155908158
ethyl 2-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-oxoacetate
CID 117372968
ethyl 2-(3-chloro-4-methylphenyl)-2-oxoacetate
CID 24722247
2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)acetonitrile
CID 84775817
ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
ethyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoacetate
CID 55054066
2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid
CID 115003473
ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
CID 53231119
ethyl 2-(3-chloro-4-cyclopropyloxyphenyl)-2-oxoacetate
CID 117425135

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate (CID 117406951) is ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate is CCOC(=O)C(=O)c1ccc2c(c1)C(C)C(=O)N2C.
What is the InChIKey of ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate?
The InChIKey is PZUYBFZOBOEQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-19-14(18)12(16)9-5-6-11-10(7-9)8(2)13(17)15(11)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate?
ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate has a molecular weight of 261.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate is sourced from PubChem (CID 117406951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).