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Chemical ID: 5151222
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
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Experimental Annotations
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Descriptor Annotations
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