Chemical ID: 4939167

CC(C)(C)C1(c2ccccc2N(C1=O)C)CC=O
Chemical ID:
4939167
Name [?]:
2-(1-methyl-2-oxo-3-tert-butyl-indolin-3-yl)acetaldehyde
SMILES [?]:
CC(C)(C)C1(c2ccccc2N(C1=O)C)CC=O
InChi [?]:
InChI=1/C15H19NO2/c1-14(2,3)15(9-10-17)11-7-5-6-8-12(11)16(4)13(15)18/h5-8,10H,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,8,9,7,10,16,17,6,11,13,2,5,12,18,14/E:(1,2,3)/rA:18cCCCCCCCCCCCNCOCCCO/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;s12;s5;s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.42529
Area:405.894
Solvation:-2.72206
Coulombic:-23.8127
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:245.317
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.06
LogP (Chemaxon):2.08

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Descriptor Annotations

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