Chemical ID: 4158805

Cc1cc(cc(c1)N2C(=O)C=CC2=O)C
Chemical ID:
4158805
Name [?]:
1-(3,5-dimethylphenyl)pyrrole-2,5-dione
SMILES [?]:
Cc1cc(cc(c1)N2C(=O)C=CC2=O)C
InChi [?]:
InChI=1/C12H11NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,11,12,3,7,5,2,4,6,9,13,8,10,14/E:(1,2)(3,4)(6,7)(8,9)(11,12)(14,15)/rA:15nCCCCCCCNCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s8s12;d13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.92518
Area:365.713
Solvation:-2.21765
Coulombic:-25.5814
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:201.221
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.91
LogP (Chemaxon):2.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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