3-[(2-Furylmethyl)amino]cyclohex-2-en-1-one
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Basic information
- CAS
51924-56-2- Standard SMILES
O=C1C=C(NCc2ccco2)CCC1- InChIKey
RNLWSMSZXYXHFX-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 3-[(2-Furylmethyl)amino]cyclohex-2-en-1-one
- IUPAC
- 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one
- English name
- 3-[(2-Furylmethyl)amino]cyclohex-2-en-1-one
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
51924-56-23-[(2-furylmethyl)amino]cyclohex-2-en-1-one3-((Furan-2-ylmethyl)amino)cyclohex-2-enoneMFCD031478953-(furan-2-ylmethylamino)cyclohex-2-en-1-one3-((Furan-2-ylmethyl)amino)cyclohex-2-en-1-one2-cyclohexen-1-one, 3-[(2-furanylmethyl)amino]-3-{[(furan-2-yl)methyl]amino}cyclohex-2-en-1-oneSMR000060178Enamine_000353Oprea1_136394MLS000055634
Show more names
T0501-35373-(2-furylmethylamino)-1-cyclohex-2-enone3-[(Furan-2-ylmethyl)-amino]-cyclohex-2-enone
CHEMBL1300573HMS1395A01HMS2487G03ALBB-016957SBB083259AKOS002681570SB61492LS-05366
Database identifiers
- CAS
51924-56-2- PubChem CID
- 2999754
- ChEMBL
CHEMBL1300573
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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