Chemical ID: 5805209

CCC(=O)N1c2ccccc2NC(=O)CC1C
Chemical ID:
5805209
Name [?]:
3-methyl-2-propanoyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-5-one
SMILES [?]:
CCC(=O)N1c2ccccc2NC(=O)CC1C
InChi [?]:
InChI=1/C13H16N2O2/c1-3-13(17)15-9(2)8-12(16)14-10-6-4-5-7-11(10)15/h4-7,9H,3,8H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,17,2,9,8,10,7,15,16,11,6,13,3,12,5,14,4/rA:17cCCCONCCCCCCNCOCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s5s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.07543
Area:396.694
Solvation:-2.84193
Coulombic:-35.2678
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.278
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.01
LogP (Chemaxon):1.4

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