Chemical ID: 3990967

CC(C)CCN1c2ccccc2C(=O)C1=O
Chemical ID:
3990967
Name [?]:
1-isopentylindoline-2,3-dione
SMILES [?]:
CC(C)CCN1c2ccccc2C(=O)C1=O
InChi [?]:
InChI=1/C13H15NO2/c1-9(2)7-8-14-11-6-4-3-5-10(11)12(15)13(14)16/h3-6,9H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,8,4,5,2,12,7,13,15,6,14,16/E:(1,2)/rA:16nCCCCCNCCCCCCCOCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s6s13;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.10639
Area:403.776
Solvation:-1.988
Coulombic:-28.9191
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.59
LogP (Chemaxon):2.42

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Descriptor Annotations

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