Chemical ID: 7176966

CCOC(=O)c1c(c2ccccc2n1C)C
Chemical ID:
7176966
Name [?]:
ethyl 1,3-dimethylindole-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c2ccccc2n1C)C
InChi [?]:
InChI=1/C13H15NO2/c1-4-16-13(15)12-9(2)10-7-5-6-8-11(10)14(12)3/h5-8H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,15,2,10,11,9,12,7,8,13,6,4,14,5,3/rA:16nCCOCOCCCCCCCCNCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s6s13;s14;s7;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO2
All Atoms:31
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.35935
Area:395.538
Solvation:-1.52909
Coulombic:-28.3712
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:2
XLogP:3.0
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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