Chemical ID: 6719575

CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)[O-]
Chemical ID:
6719575
Name [?]:
2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate
SMILES [?]:
CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)[O-]
InChi [?]:
InChI=1/C14H15NO4/c1-8(2)5-6-15-12(16)10-4-3-9(14(18)19)7-11(10)13(15)17/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,11,10,4,5,13,2,12,9,14,7,15,17,6,8,16,18,19/E:(1,2)(18,19)/rA:19nCCCCCNCOCCCCCCCOCOO-/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s6s14;d15;s12;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14NO4-
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-30.6062
Area:454.51
Solvation:-41.969
Coulombic:-29.5973
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.265
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.13
LogP (Chemaxon):1.68

Name Annotations

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Descriptor Annotations

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