Chemical ID: 5168180

c1ccc2c(c1)C(=O)N(C2=O)CCCCCN
Chemical ID:
5168180
Name [?]:
2-(5-aminopentyl)isoindoline-1,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCCCCN
InChi [?]:
InChI=1/C13H16N2O2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9,14H2
InChi Info:
AuxInfo=1/0/N:14,1,2,15,13,6,3,16,12,5,4,7,10,17,9,8,11/E:(2,3)(6,7)(10,11)(12,13)(16,17)/rA:17nCCCCCCCONCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.66804
Area:438.06
Solvation:-2.28345
Coulombic:-39.8031
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.278
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.43
LogP (Chemaxon):0.74

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Descriptor Annotations

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