Chemical ID: 6049442

c1ccc(cc1)C2N3C(CCC3=O)CO2
Chemical ID:
6049442
Name [?]:
8-phenyl-7-oxa-1-azabicyclo[3.3.0]octan-2-one
SMILES [?]:
c1ccc(cc1)C2N3C(CCC3=O)CO2
InChi [?]:
InChI=1/C12H13NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,14,4,9,12,7,8,13,15/E:(2,3)(4,5)/rA:15cCCCCCCCNCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;d12;s9;s7s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:5.24754
Area:355.967
Solvation:-3.65164
Coulombic:-24.4823
Bond Count [?]
All:17
Single:13
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:203.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.42
LogP (Chemaxon):1.45

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue