2-Amino-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
4180-86-3- Standard SMILES
NN1C(=O)C2C3C=CC(C3)C2C1=O- InChIKey
NONAXZPAOYXUOC-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422757
Names & identifiers
- Preferred name
- 2-Amino-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
- IUPAC
- 4-amino-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
- English name
- 2-amino-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
- Molecular formula
- C9H10N2O2
- Molecular weight
- 178.19
Names & synonyms
4180-86-32-Amino-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dioneRefChem:2554122-amino-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-amino-3a,4,7,7a-tetrahydro-Oprea1_622274SCHEMBL31064574-amino-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dioneDTXSID301161911STL300927AKOS000295982AKOS016051598
Show more names
ST505598524-AMINO-4-AZA-TRICYCLO(5.2.1.0(2,6))DEC-8-ENE-3,5-DIONE
Database identifiers
- CAS
4180-86-3- PubChem CID
- 3296241
- DTXSID
DTXSID301161911- Nikkaji
- J3.415.631J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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