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Chemical ID: 6640881
Chemical ID:
6640881
Name [?]:
2,4,9-trimethyl-1,6-diazabicyclo[4.3.0]nona-2,4,8-trien-7-one
SMILES [?]:
Cc1cc(n2c(cc(=O)n2c1)C)C
InChi [?]:
InChI=1/C10H12N2O/c1-7-4-8(2)12-9(3)5-10(13)11(12)6-7/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,12,3,7,11,2,4,6,8,10,5,9/rA:13nCCCCNCCCONCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s5s8;d2s10;s6;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.31617 |
Area: | 335.523 |
Solvation: | -2.0719 |
Coulombic: | -14.8281 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 176.215 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.47 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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