[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate

C21H15NO6 — CID 9290380

IUPAC[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4ccccc4oc3=O)cc21
InChIInChI=1S/C21H15NO6/c1-11-14-8-12(6-7-16(14)22-19(11)24)17(23)10-27-20(25)15-9-13-4-2-3-5-18(13)28-21(15)26/h2-9,11H,10H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyVGXLXEZRKBENFC-LLVKDONJSA-N
MW377.35 g/mol
LogP2.89
Rot. Bonds4

About [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate (PubChem CID 9290380) has the molecular formula C21H15NO6 and a molecular weight of 377.35 g/mol. Its IUPAC name is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate
PubChem CID9290380
Molecular FormulaC21H15NO6
Molecular Weight377.35 g/mol
Exact Mass377.09
IUPAC Name[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate
SMILESC[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4ccccc4oc3=O)cc21
InChIInChI=1S/C21H15NO6/c1-11-14-8-12(6-7-16(14)22-19(11)24)17(23)10-27-20(25)15-9-13-4-2-3-5-18(13)28-21(15)26/h2-9,11H,10H2,1H3,(H,22,24)/t11-/m1/s1
InChIKeyVGXLXEZRKBENFC-LLVKDONJSA-N
XLogP2.89
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631995
[2-oxo-2-(4-propylphenyl)ethyl] 2-oxochromene-3-carboxylate
CID 7785455
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 1280548
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387319
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341793
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 9291069
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8648842
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 9081901
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-pentoxybenzoate
CID 9202639
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] adamantane-1-carboxylate
CID 9017892
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 9491721

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate?
The IUPAC name of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate (CID 9290380) is [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate.
What is the SMILES notation for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate?
The canonical SMILES for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate is C[C@H]1C(=O)Nc2ccc(C(=O)COC(=O)c3cc4ccccc4oc3=O)cc21.
What is the InChIKey of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate?
The InChIKey is VGXLXEZRKBENFC-LLVKDONJSA-N. The full InChI is InChI=1S/C21H15NO6/c1-11-14-8-12(6-7-16(14)22-19(11)24)17(23)10-27-20(25)15-9-13-4-2-3-5-18(13)28-21(15)26/h2-9,11H,10H2,1H3,(H,22,24)/t11-/m1/s1.
What are the key properties of [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate?
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate has a molecular weight of 377.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate is sourced from PubChem (CID 9290380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).