Basic information
- Standard SMILES
CC(C)C1CC(=O)C=C(N)C1- InChIKey
KHPFMSNFDYZATO-UHFFFAOYSA-N- Molecular formula
- C9H15NO
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.1153641
Names & identifiers
- Preferred name
- 3-Amino-5-isopropylcyclohex-2-en-1-one
- IUPAC
- 3-amino-5-propan-2-ylcyclohex-2-en-1-one
Names & synonyms
3-Amino-5-isopropylcyclohex-2-en-1-oneSCHEMBL4329761KHPFMSNFDYZATO-UHFFFAOYSA-N3-amino-5-propan-2-ylcyclohex-2-en-1-one
Database identifiers
- PubChem CID
- 57723104
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 194
Related reactions
3 records
Compound notes
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