Chemical ID: 4911277

Cc1c2c([nH]n1)CCOC(=O)N2
Chemical ID:
4911277
Name [?]:
10-methyl-4-oxa-2,8,9-triazabicyclo[5.3.0]deca-9,11-dien-3-one
SMILES [?]:
Cc1c2c([nH]n1)CCOC(=O)N2
InChi [?]:
InChI=1/C7H9N3O2/c1-4-6-5(10-9-4)2-3-12-7(11)8-6/h2-3H2,1H3,(H,8,11)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,7,8,2,4,3,10,12,6,5,11,9/rA:12nCCCCNNCCOCON/rB:s1;s2;d3;s4;d2s5;s4;s7;s8;s9;d10;s3s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9N3O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.95861
Area:309.655
Solvation:-2.78277
Coulombic:-40.2865
Bond Count [?]
All:13
Single:10
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:167.165
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.54
LogP (Chemaxon):0.04

Name Annotations

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Descriptor Annotations

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