Basic information
- CAS
445222-64-0- Standard SMILES
C=CCN1C(=O)C2(C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)c2ccccc21- InChIKey
DWXIMGAWSFIUQJ-UHFFFAOYSA-N- Molecular formula
- C21H19N3O6
- Average molar mass
- 409.4 g/mol
Names & identifiers
- Preferred name
- Methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
- IUPAC
- methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
- English name
- 1-allyl-6'-amino-5'-cyano-1,3-dihydro-3'-methoxycarbonyl-2'-(2'-methoxy-2'-oxoethyl)-2-oxo-spiro[2H-indole-3,4'-(4'H)-pyran]
- Molecular formula
- C21H19N3O6
- Molecular weight
- 409.39
Names & synonyms
445222-64-0methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylatemethyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylateOprea1_253778STK863602AKOS001670054AKOS022004158AKOS0220907971-allyl-6'-amino-5'-cyano-1,3-dihydro-3'-methoxycarbonyl-2'-(2'-methoxy-2'-oxoethyl)-2-oxo-spiro[2H-indole-3,4'-(4'H)-pyran]AK-777/14666005SR-01000111145SR-01000111145-1
Show more names
Spiro[3H-indole-3,4'-[4H]pyran]-2'-acetic acid, 6'-amino-5'-cyano-1,2-dihydro-3'-(methoxycarbonyl)-2-oxo-1-(2-propen-1-yl)-, methyl ester
(R)-methyl 1-allyl-2'-amino-3'-cyano-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 911
Physicochemical properties
- Boiling point
- 703.8 · 703.8±60.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 1 · 1.00±0.60(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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