trimethyl pyrrole-1,3,4-tricarboxylate

C10H11NO6 — CID 91734196

IUPACtrimethyl pyrrole-1,3,4-tricarboxylate
SMILESCOC(=O)c1cn(C(=O)OC)cc1C(=O)OC
InChIInChI=1S/C10H11NO6/c1-15-8(12)6-4-11(10(14)17-3)5-7(6)9(13)16-2/h4-5H,1-3H3
InChIKeyIPSYLAPPZIIKGJ-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.68
Rot. Bonds2

About trimethyl pyrrole-1,3,4-tricarboxylate

trimethyl pyrrole-1,3,4-tricarboxylate (PubChem CID 91734196) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is trimethyl pyrrole-1,3,4-tricarboxylate.

Molecular Properties

Compound Nametrimethyl pyrrole-1,3,4-tricarboxylate
PubChem CID91734196
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Nametrimethyl pyrrole-1,3,4-tricarboxylate
SMILESCOC(=O)c1cn(C(=O)OC)cc1C(=O)OC
InChIInChI=1S/C10H11NO6/c1-15-8(12)6-4-11(10(14)17-3)5-7(6)9(13)16-2/h4-5H,1-3H3
InChIKeyIPSYLAPPZIIKGJ-UHFFFAOYSA-N
XLogP0.68
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
dimethyl 1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxylate
CID 17339213
methyl 5-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 130065779
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate
CID 150095703
dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate
CID 17339243
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209
methyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate;methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
CID 159612012

Frequently Asked Questions

What is the IUPAC name of trimethyl pyrrole-1,3,4-tricarboxylate?
The IUPAC name of trimethyl pyrrole-1,3,4-tricarboxylate (CID 91734196) is trimethyl pyrrole-1,3,4-tricarboxylate.
What is the SMILES notation for trimethyl pyrrole-1,3,4-tricarboxylate?
The canonical SMILES for trimethyl pyrrole-1,3,4-tricarboxylate is COC(=O)c1cn(C(=O)OC)cc1C(=O)OC.
What is the InChIKey of trimethyl pyrrole-1,3,4-tricarboxylate?
The InChIKey is IPSYLAPPZIIKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-15-8(12)6-4-11(10(14)17-3)5-7(6)9(13)16-2/h4-5H,1-3H3.
What are the key properties of trimethyl pyrrole-1,3,4-tricarboxylate?
trimethyl pyrrole-1,3,4-tricarboxylate has a molecular weight of 241.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl pyrrole-1,3,4-tricarboxylate is sourced from PubChem (CID 91734196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).