Chemical ID: 5170238

CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
Chemical ID:
5170238
Name [?]:
(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl) propanoate
SMILES [?]:
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
InChi [?]:
InChI=1/C11H15NO3/c1-5-9(14)15-11-6(2)10(8(4)13)7(3)12-11/h12H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,11,14,2,7,9,12,3,8,6,10,13,4,5/rA:15nCCCOOCCCCNCCOCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s8;d12;s12;s7;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.38582
Area:400.178
Solvation:-2.61864
Coulombic:-35.4473
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.49
LogP (Chemaxon):0.91

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Descriptor Annotations

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