Chemical ID: 5170611

c1ccc2c(c1)C(=O)CCCN2
Chemical ID:
5170611
Name [?]:
2-azabicyclo[5.4.0]undeca-8,10,12-trien-6-one
SMILES [?]:
c1ccc2c(c1)C(=O)CCCN2
InChi [?]:
InChI=1/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,3,9,11,5,4,7,12,8/rA:12nCCCCCCCOCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s4s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.89731
Area:311.203
Solvation:-1.88276
Coulombic:-20.0981
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.2
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.49
LogP (Chemaxon):1.72

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