ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate

C18H19NO4 — CID 102597403

IUPACethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
SMILESCCOC(=O)[C@@H]1[C@H]2CC[C@H](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-/m1/s1
InChIKeyPYNJRWUMFKKCML-MZZIBZEXSA-N
MW313.35 g/mol
LogP2.05
Rot. Bonds2

About ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate

ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate (PubChem CID 102597403) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate.

Molecular Properties

Compound Nameethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
PubChem CID102597403
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
SMILESCCOC(=O)[C@@H]1[C@H]2CC[C@H](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-/m1/s1
InChIKeyPYNJRWUMFKKCML-MZZIBZEXSA-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 (1'R,2'R,3S,4'R)-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 (1'S,3'S)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194579
ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 102153182
diethyl (1'S,2'S)-5-bromo-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarboxylate
CID 122193082
ethyl (1'S,3R,5'R,6'S)-2,4'-dioxo-1'-phenylspiro[1H-indole-3,7'-8-oxabicyclo[3.2.1]octane]-6'-carboxylate
CID 11349847
2-O'-ethyl 3-O'-methyl (2'S,3R,3'S,5'S)-5'-(2,2-diphenylethenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2',3'-dicarboxylate
CID 23245822
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
ethyl 3-methyl-2'-oxospiro[1,4-dihydropyrazole-5,3'-1H-indole]-4-carboxylate
CID 139227778
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
CID 102201614
CID 102201614
ethyl 2-oxo-4-phenyl-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate
CID 68606018
ethyl (1'R,2'S,3S,3'aS)-2'-benzoyl-2-oxospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-1'-carboxylate
CID 162861000
ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
CID 11258902

Frequently Asked Questions

What is the IUPAC name of ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate?
The IUPAC name of ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate (CID 102597403) is ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate.
What is the SMILES notation for ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate?
The canonical SMILES for ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate is CCOC(=O)[C@@H]1[C@H]2CC[C@H](CC2=O)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate?
The InChIKey is PYNJRWUMFKKCML-MZZIBZEXSA-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-/m1/s1.
What are the key properties of ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate?
ethyl (1'R,2'R,3S,4'R)-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 (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate is sourced from PubChem (CID 102597403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).