Chemical ID: 6325393

CCNc1ccc2c(c1)C(=O)N(C2=O)C
Chemical ID:
6325393
Name [?]:
5-ethylamino-2-methyl-isoindoline-1,3-dione
SMILES [?]:
CCNc1ccc2c(c1)C(=O)N(C2=O)C
InChi [?]:
InChI=1/C11H12N2O2/c1-3-12-7-4-5-8-9(6-7)11(15)13(2)10(8)14/h4-6,12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,5,6,9,4,7,8,13,10,3,12,14,11/rA:15nCCNCCCCCCCONCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7s12;d13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.35413
Area:381.089
Solvation:-2.17309
Coulombic:-37.5397
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.225
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.2
LogP (Chemaxon):0.54

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Descriptor Annotations

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