Chemical ID: 5151222

CC1C=C(C=C(NC1=O)C)C
Chemical ID:
5151222
Name [?]:
3,5,7-trimethyl-1,3-dihydroazepin-2-one
SMILES [?]:
CC1C=C(C=C(NC1=O)C)C
InChi [?]:
InChI=1/C9H13NO/c1-6-4-7(2)9(11)10-8(3)5-6/h4-5,7H,1-3H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:11,1,10,3,5,4,2,6,8,7,9/rA:11cCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;s6;s2s7;d8;s6;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.35602
Area:313.297
Solvation:-1.4764
Coulombic:-20.6539
Bond Count [?]
All:11
Single:8
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.206
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.83
LogP (Chemaxon):0.3

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