Chemical ID: 4218340

CCCC(=O)c1c(c([nH]c1C)C(=O)OCC)C
Chemical ID:
4218340
Name [?]:
ethyl 4-butanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILES [?]:
CCCC(=O)c1c(c([nH]c1C)C(=O)OCC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.87265
Area:452.728
Solvation:-2.44554
Coulombic:-39.1613
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.15
LogP (Chemaxon):1.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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