Chemical ID: 7242229

CCOC(=O)c1cn2cccc(c2n1)C
Chemical ID:
7242229
Name [?]:
ethyl 5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylate
SMILES [?]:
CCOC(=O)c1cn2cccc(c2n1)C
InChi [?]:
InChI=1/C11H12N2O2/c1-3-15-11(14)9-7-13-6-4-5-8(2)10(13)12-9/h4-7H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,10,11,9,7,12,6,13,4,14,8,5,3/rA:15nCCOCOCCNCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s8s12;s6d13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O2
All Atoms:27
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:7.68547
Area:387.945
Solvation:-2.01316
Coulombic:-31.9696
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.51
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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