diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate

C15H17NO5 — CID 11460508

IUPACdiethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C1C(=O)Nc2ccccc21
InChIInChI=1S/C15H17NO5/c1-3-20-14(18)12(15(19)21-4-2)11-9-7-5-6-8-10(9)16-13(11)17/h5-8,11-12H,3-4H2,1-2H3,(H,16,17)
InChIKeyFIXNLLBXXUFAMM-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.46
Rot. Bonds5

About diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate

diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate (PubChem CID 11460508) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
PubChem CID11460508
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namediethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C1C(=O)Nc2ccccc21
InChIInChI=1S/C15H17NO5/c1-3-20-14(18)12(15(19)21-4-2)11-9-7-5-6-8-10(9)16-13(11)17/h5-8,11-12H,3-4H2,1-2H3,(H,16,17)
InChIKeyFIXNLLBXXUFAMM-UHFFFAOYSA-N
XLogP1.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-oxo-1,3-dihydroindol-3-yl)prop-2-enoate
CID 174787391
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
3-[2-hydroxy-1-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 20976490
N-(2-oxo-1,3-dihydroindol-3-yl)-N-propan-2-ylpentanamide
CID 132579110
ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate
CID 22956885
ethyl 2-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 69004783
3-(1-aminoprop-2-enyl)-1,3-dihydroindol-2-one
CID 66628472
ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
CID 53474520
ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
CID 140989258
ethyl 2-amino-2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetate
CID 70123988
ethyl 3-oxo-2-(9H-xanthen-9-yl)butanoate
CID 12676138
3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one
CID 139780200

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate?
The IUPAC name of diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate (CID 11460508) is diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate.
What is the SMILES notation for diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate?
The canonical SMILES for diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate is CCOC(=O)C(C(=O)OCC)C1C(=O)Nc2ccccc21.
What is the InChIKey of diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate?
The InChIKey is FIXNLLBXXUFAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-3-20-14(18)12(15(19)21-4-2)11-9-7-5-6-8-10(9)16-13(11)17/h5-8,11-12H,3-4H2,1-2H3,(H,16,17).
What are the key properties of diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate?
diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate has a molecular weight of 291.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate is sourced from PubChem (CID 11460508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).