Chemical ID: 4767296

CCN1c2ccccc2N(CCC1=O)C
Chemical ID:
4767296
Name [?]:
2-ethyl-6-methyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
CCN1c2ccccc2N(CCC1=O)C
InChi [?]:
InChI=1/C12H16N2O/c1-3-14-11-7-5-4-6-10(11)13(2)9-8-12(14)15/h4-7H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,7,6,8,5,12,11,9,4,13,10,3,14/rA:15cCCNCCCCCCNCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s3s12;d13;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.482
Area:361.17
Solvation:-2.54725
Coulombic:-21.7953
Bond Count [?]
All:16
Single:12
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.67
LogP (Chemaxon):1.64

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