Chemical ID: 6430312

Cc1cccc(c1)N2C(=O)CCC2=O
Chemical ID:
6430312
Name [?]:
1-(m-tolyl)pyrrolidine-2,5-dione
SMILES [?]:
Cc1cccc(c1)N2C(=O)CCC2=O
InChi [?]:
InChI=1/C11H11NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-4,7H,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,11,12,7,2,6,9,13,8,10,14/E:(5,6)(10,11)(13,14)/rA:14nCCCCCCCNCOCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s8s12;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.78354
Area:353.83
Solvation:-3.06221
Coulombic:-22.5112
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.17
LogP (Chemaxon):1.32

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Descriptor Annotations

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