Chemical ID: 5235302

CC1=CC=CN2C1=NC(=O)CC2
Chemical ID:
5235302
Name [?]:
7-methyl-1,5-diazabicyclo[4.4.0]deca-5,7,9-trien-4-one
SMILES [?]:
CC1=CC=CN2C1=NC(=O)CC2
InChi [?]:
InChI=1/C9H10N2O/c1-7-3-2-5-11-6-4-8(12)10-9(7)11/h2-3,5H,4,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,11,5,12,2,9,7,8,6,10/rA:12nCCCCCNCNCOCC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s9;s6s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.67212
Area:311.195
Solvation:-2.10776
Coulombic:-20.3172
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:162.189
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.56
LogP (Chemaxon):0.8

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