Basic information
- CAS
766466-47-1- Standard SMILES
CC(N)C1CC(=O)C=C(O)C1- InChIKey
UCPQKWRNQZQGIP-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- 5-(1-Aminoethyl)-3-hydroxycyclohex-2-en-1-one
- IUPAC
- 5-(1-aminoethyl)-3-hydroxycyclohex-2-en-1-one
- English name
- 2-Cyclohexen-1-one,5-(1-aminoethyl)-3-hydroxy-(9CI)
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19432
Names & synonyms
2-Cyclohexen-1-one,5-(1-aminoethyl)-3-hydroxy-(9CI)
Database identifiers
- CAS
766466-47-1- PubChem CID
- 13510258
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 198
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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