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Chemical ID: 4705611
Chemical ID:
4705611
Name [?]:
10-oxa-5-azabicyclo[5.3.0]deca-8,11-dien-6-one
SMILES [?]:
c1coc2c1C(=O)NCCC2
InChi [?]:
InChI=1/C8H9NO2/c10-8-6-3-5-11-7(6)2-1-4-9-8/h3,5H,1-2,4H2,(H,9,10)
InChi Info:
AuxInfo=1/1/N:10,11,1,9,2,5,4,6,8,7,3/rA:11nCCOCCCONCCC/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;s9;s4s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.99915 |
Area: | 291.956 |
Solvation: | -2.29975 |
Coulombic: | -27.6435 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 151.163 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.25 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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