ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate

C18H19NO4 — CID 135054509

IUPACethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
SMILESCCOC(=O)C1C2CCC(CC2=O)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H19NO4/c1-2-23-16(21)15-11-8-7-10(9-14(11)20)18(15)12-5-3-4-6-13(12)19-17(18)22/h3-6,10-11,15H,2,7-9H2,1H3,(H,19,22)/t10?,11?,15?,18-/m0/s1
InChIKeyPYNJRWUMFKKCML-SBZLZFPLSA-N
MW313.35 g/mol
LogP2.05
Rot. Bonds2

About ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate

ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate (PubChem CID 135054509) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
PubChem CID135054509
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
SMILESCCOC(=O)C1C2CCC(CC2=O)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H19NO4/c1-2-23-16(21)15-11-8-7-10(9-14(11)20)18(15)12-5-3-4-6-13(12)19-17(18)22/h3-6,10-11,15H,2,7-9H2,1H3,(H,19,22)/t10?,11?,15?,18-/m0/s1
InChIKeyPYNJRWUMFKKCML-SBZLZFPLSA-N
XLogP2.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-oxo-2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetate
CID 372101
5-Cyclohexylspiro[1h-Indole-3,4'-Oxane]-2-One
CID 91754990
Ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
CID 2860287
Isopropyl 5'-acetyl-2'-amino-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
CID 2961861
ethyl (1S,2S)-2'-oxospiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956407
1H-Indole-3-acetic acid, 2,3-dihydro-2-oxo-, methyl ester
CID 11287197
(S)-butyl 2-amino-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate
CID 661495
ethyl (1S,2S)-5'-fluoro-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956408
ethyl (1S,2S)-5'-iodo-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956410
ethyl (1S,2S)-2'-oxo-5'-phenyl-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956424
dimethyl (2R,3R)-1-(phenylcarbamoyl)bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 657474
ethyl (1S,2S)-5'-methyl-2'-oxo-spiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956412

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate?
The IUPAC name of ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate (CID 135054509) is ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate.
What is the SMILES notation for ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate?
The canonical SMILES for ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate is CCOC(=O)C1C2CCC(CC2=O)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate?
The InChIKey is PYNJRWUMFKKCML-SBZLZFPLSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-23-16(21)15-11-8-7-10(9-14(11)20)18(15)12-5-3-4-6-13(12)19-17(18)22/h3-6,10-11,15H,2,7-9H2,1H3,(H,19,22)/t10?,11?,15?,18-/m0/s1.
What are the key properties of ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate?
ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate is sourced from PubChem (CID 135054509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).