2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile-4-spiro-7'-(1',4'-dioxaspiro[4.5]decane)
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Basic information
- CAS
664999-63-7- Standard SMILES
CC1CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCC2(CC1)OCCO2- InChIKey
XCGVQIXLXRCIAR-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.15795719
Names & identifiers
- Preferred name
- 2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile-4-spiro-7'-(1',4'-dioxaspiro[4.5]decane)
- English name
- 2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile-4-spiro-7'- (1',4'-dioxaspiro[4.5]decane)
- Molecular formula
- C18H22N2O4
- Molecular weight
- 330.37828
Names & synonyms
AKOS000670038AKOS016350025ST071634AM-807/41929137SR-01000320075SR-01000320075-113-amino-18-methyl-16-oxodispiro[1,3-dioxolane-2,1'-cyclohexane-4',4''-4'H-6'' ,7'',8''-trihydrochromene]-14-carbonitrile2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile-4-spiro-7'- (1',4'-dioxaspiro[4.5]decane)2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile-4-spiro-7'-(1',4'-dioxaspiro[4.5]decane)2-amino-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile-4-spiro-7'- (1',4'-dioxaspiro[4.5]decane)
Database identifiers
- CAS
664999-63-7- PubChem CID
- 3156512
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
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Compound notes
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