2-Amino-6-methylhept-2-en-4-one
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Basic information
- CAS
865185-13-3- Standard SMILES
CC(N)=CC(=O)CC(C)C- InChIKey
HUTKQWXEXNKQEU-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- 2-Amino-6-methylhept-2-en-4-one
- IUPAC
- 2-amino-6-methylhept-2-en-4-one
Names & synonyms
2-amino-6-methylhept-2-en-4-one865185-13-3SCHEMBL1320565DTXSID40826726HUTKQWXEXNKQEU-UHFFFAOYSA-N
Database identifiers
- CAS
865185-13-3- PubChem CID
- 71406110
- DTXSID
DTXSID40826726
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Related reactions
2 records
Compound notes
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