Basic information
- CAS
21769-53-9- Standard SMILES
O=C1C2CC2C(c2ccccc2)=NN1CCN1CCOCC1- InChIKey
YUQWDYVWUBNGBG-UHFFFAOYSA-N- Molecular formula
- C17H21N3O2
- Average molar mass
- 299.37 g/mol
- Monoisotopic mass
- 299.16337692
Names & identifiers
- Preferred name
- 3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-
- IUPAC
- 3-(2-morpholin-4-ylethyl)-5-phenyl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
Names & synonyms
AG 27421769-53-9BRN 09288864-(2-Morpholinoethyl)-2-phenyl-3,4-diazabicyclo(4.1.0)hept-2-en-5-oneMorpholinoethyl-4 oxo-5 phenyl-2 diaza-3,4 bicyclo(4.1.0)heptene-2 [French]3,4-DIAZABICYCLO(4.1.0)HEPT-2-EN-5-ONE, 4-(2-MORPHOLINOETHYL)-2-PHENYL-Morpholinoethyl-4 oxo-5 phenyl-2 diaza-3,4 bicyclo(4.1.0)heptene-2RefChem:270752DTXSID309443823-[2-(Morpholin-4-yl)ethyl]-5-phenyl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
Database identifiers
- CAS
21769-53-9- PubChem CID
- 30797
- DTXSID
DTXSID30944382- Nikkaji
- J40.822K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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