Chemical ID: 4705611

c1coc2c1C(=O)NCCC2
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

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Descriptor Annotations

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