Chemical ID: 4166324

CC1CC(=O)Nc2c1cc(cc2)OCC3CO3
Chemical ID:
4166324
Name [?]:
4-methyl-6-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILES [?]:
CC1CC(=O)Nc2c1cc(cc2)OCC3CO3
InChi [?]:
InChI=1/C13H15NO3/c1-8-4-13(15)14-12-3-2-9(5-11(8)12)16-6-10-7-17-10/h2-3,5,8,10H,4,6-7H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,11,12,3,9,14,16,2,10,15,8,7,4,6,5,13,17/rA:17cCCCCONCCCCCCOCCCO/rB:s1;s2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s10;s13;s14;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:5.46758
Area:415.628
Solvation:-4.92311
Coulombic:-34.6417
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.263
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.01
LogP (Chemaxon):1.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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