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Chemical ID: 5205785
Chemical ID:
5205785
Name [?]:
7,7-dimethyl-4-oxa-1,6-diazabicyclo[3.3.0]oct-5-en-8-one
SMILES [?]:
CC1(C(=O)N2CCOC2=N1)C
InChi [?]:
InChI=1/C7H10N2O2/c1-7(2)5(10)9-3-4-11-6(9)8-7/h3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,6,7,3,9,2,10,5,4,8/E:(1,2)/rA:11nCCCONCCOCNC/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s2d9;s2;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.99501 |
Area: | 299.779 |
Solvation: | -2.49946 |
Coulombic: | -31.5691 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 154.167 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.16 |
LogP (Chemaxon): | 0.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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