ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate

C11H15NO4 — CID 121224080

IUPACethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)n(CC)c1
InChIInChI=1S/C11H15NO4/c1-4-12-7-9(11(14)15-5-2)6-10(12)16-8(3)13/h6-7H,4-5H2,1-3H3
InChIKeyGINXHXWEUHDVPI-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.61
Rot. Bonds4

About ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate

ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate (PubChem CID 121224080) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate
PubChem CID121224080
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)n(CC)c1
InChIInChI=1S/C11H15NO4/c1-4-12-7-9(11(14)15-5-2)6-10(12)16-8(3)13/h6-7H,4-5H2,1-3H3
InChIKeyGINXHXWEUHDVPI-UHFFFAOYSA-N
XLogP1.61
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 1-(3-cyanopropyl)pyrrole-2,4-dicarboxylate
CID 67228752
ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
ethyl 1-ethyl-4-iodopyrrole-2-carboxylate
CID 68698718
ethyl 4-acetyloxy-1,2-dimethylpyrrole-3-carboxylate
CID 121006178
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053
ethyl 7-acetyloxy-2,3-dimethylbenzimidazole-5-carboxylate
CID 121004665
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 5-acetyloxy-6-iodopyridine-3-carboxylate
CID 154776202
5-acetyl-3-ethoxy-1-ethylpyridin-2-one
CID 155595683
ethyl 3-benzoyl-1-ethylindole-5-carboxylate
CID 170857423
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate
CID 155060092

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate (CID 121224080) is ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate is CCOC(=O)c1cc(OC(C)=O)n(CC)c1.
What is the InChIKey of ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate?
The InChIKey is GINXHXWEUHDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-12-7-9(11(14)15-5-2)6-10(12)16-8(3)13/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate?
ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate is sourced from PubChem (CID 121224080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).