Chemical ID: 4098500

Cc1cc2c(c(n1)N)C(=O)OC2
Chemical ID:
4098500
Name [?]:
5-amino-3-methyl-8-oxa-4-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
SMILES [?]:
Cc1cc2c(c(n1)N)C(=O)OC2
InChi [?]:
InChI=1/C8H8N2O2/c1-4-2-5-3-12-8(11)6(5)7(9)10-4/h2H,3H2,1H3,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,12,2,4,5,6,9,8,7,10,11/rA:12nCCCCCCNNCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s4s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.02523
Area:309.624
Solvation:-2.71537
Coulombic:-39.2295
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:164.161
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.62
LogP (Chemaxon):0.75

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Descriptor Annotations

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