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Chemical ID: 4908190
Chemical ID:
4908190
Name [?]:
8,9-diazabicyclo[5.3.0]dec-7-en-10-one
SMILES [?]:
C1CCC2C(=NNC2=O)CC1
InChi [?]:
InChI=1/C8H12N2O/c11-8-6-4-2-1-3-5-7(6)9-10-8/h6H,1-5H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,11,3,10,4,5,8,6,7,9/rA:11cCCCCCNNCOCC/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s5;s1s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.70556 |
Area: | 295.653 |
Solvation: | -1.68576 |
Coulombic: | -18.867 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 152.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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