Chemical ID: 4604498

CCc1c([nH]c(c1CC)C(=O)OCC)C
Chemical ID:
4604498
Name [?]:
ethyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate
SMILES [?]:
CCc1c([nH]c(c1CC)C(=O)OCC)C
InChi [?]:
InChI=1/C12H19NO2/c1-5-9-8(4)13-11(10(9)6-2)12(14)15-7-3/h13H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,14,15,2,8,13,4,3,7,6,10,5,11,12/rA:15nCCCCNCCCCCOOCCC/rB:s1;s2;d3;s4;s5;s3d6;s7;s8;s6;d10;s10;s12;s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.70395
Area:404.545
Solvation:-1.40966
Coulombic:-32.3135
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.285
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.64
LogP (Chemaxon):2.45

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Descriptor Annotations

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