Chemical ID: 5103006

CCOC(=O)c1c(c2ccc(cc2[nH]1)C(C)C)C=O
Chemical ID:
5103006
Name [?]:
ethyl 3-formyl-6-isopropyl-1H-indole-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2ccc(cc2[nH]1)C(C)C)C=O
InChi [?]:
InChI=1/C15H17NO3/c1-4-19-15(18)14-12(8-17)11-6-5-10(9(2)3)7-13(11)16-14/h5-9,16H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,2,10,9,12,18,15,11,8,7,13,6,4,14,19,5,3/E:(2,3)/rA:19nCCOCOCCCCCCCCNCCCCO/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s11;s15;s15;s7;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.91652
Area:460.082
Solvation:-3.58551
Coulombic:-38.1973
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:259.3
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.57
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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