Chemical ID: 5259726

COC1=C(C(=O)NC1C(=O)c2ccccc2)C(=O)OC
Chemical ID:
5259726
Name [?]:
methyl 5-benzoyl-4-methoxy-2-oxo-1,5-dihydropyrrole-3-carboxylate
SMILES [?]:
COC1=C(C(=O)NC1C(=O)c2ccccc2)C(=O)OC
InChi [?]:
InChI=1/C14H13NO5/c1-19-12-9(14(18)20-2)13(17)15-10(12)11(16)8-6-4-3-5-7-8/h3-7,10H,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,20,14,13,15,12,16,11,4,8,9,3,5,17,7,10,6,18,2,19/E:(4,5)(6,7)/rA:20cCOCCCONCCOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;s5;s3s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s4;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:6.27083
Area:444.371
Solvation:-4.83844
Coulombic:-55.5135
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:275.257
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.73
LogP (Chemaxon):-0.71

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