diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate

C23H24N2O5 — CID 122403714

IUPACdiethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)c2cc(C)ccc2N[C@@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C23H24N2O5/c1-5-29-20(27)22(21(28)30-6-2)16-13-14(3)11-12-17(16)24-23(22)15-9-7-8-10-18(15)25(4)19(23)26/h7-13,24H,5-6H2,1-4H3/t23-/m0/s1
InChIKeyWFMBIQAHPUTFHG-QHCPKHFHSA-N
MW408.45 g/mol
LogP2.66
Rot. Bonds4

About diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate

diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate (PubChem CID 122403714) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate
PubChem CID122403714
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Namediethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)c2cc(C)ccc2N[C@@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C23H24N2O5/c1-5-29-20(27)22(21(28)30-6-2)16-13-14(3)11-12-17(16)24-23(22)15-9-7-8-10-18(15)25(4)19(23)26/h7-13,24H,5-6H2,1-4H3/t23-/m0/s1
InChIKeyWFMBIQAHPUTFHG-QHCPKHFHSA-N
XLogP2.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1,3,5-trimethyl-2-oxoindole-3-carboxylate
CID 56945773
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
methyl 1',6-dimethyl-2'-oxospiro[1,3-dihydroindole-2,3'-indole]-3-carboxylate
CID 102101962
ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate
CID 22486115
ethyl (3R)-1-methyl-2-oxo-3-(2-oxo-1,2-diphenylethyl)indole-3-carboxylate
CID 102434104
(3S)-3-(2-hydroxy-5-methylphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139191748
ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)prop-2-ynoate
CID 134966925
ethyl (2'S,3S)-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxylate
CID 102223024
ethyl (4S)-4-hydroxy-3-methyl-2-oxo-1H-quinazoline-4-carboxylate
CID 744798
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate?
The IUPAC name of diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate (CID 122403714) is diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate.
What is the SMILES notation for diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate?
The canonical SMILES for diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate is CCOC(=O)C1(C(=O)OCC)c2cc(C)ccc2N[C@@]12C(=O)N(C)c1ccccc12.
What is the InChIKey of diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate?
The InChIKey is WFMBIQAHPUTFHG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-5-29-20(27)22(21(28)30-6-2)16-13-14(3)11-12-17(16)24-23(22)15-9-7-8-10-18(15)25(4)19(23)26/h7-13,24H,5-6H2,1-4H3/t23-/m0/s1.
What are the key properties of diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate?
diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate has a molecular weight of 408.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-1',5-dimethyl-2'-oxospiro[1H-indole-2,3'-indole]-3,3-dicarboxylate is sourced from PubChem (CID 122403714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).