Chemical ID: 4281072

CCOC(=O)c1c(c(c([nH]1)C)C(=O)C(C)C)C
Chemical ID:
4281072
Name [?]:
ethyl 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(c([nH]1)C)C(=O)C(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.61244
Area:439.23
Solvation:-2.36831
Coulombic:-39.3704
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.88
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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