diethyl 1-methylpyrrole-3,4-dicarboxylate

C11H15NO4 — CID 14933712

IUPACdiethyl 1-methylpyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1cn(C)cc1C(=O)OCC
InChIInChI=1S/C11H15NO4/c1-4-15-10(13)8-6-12(3)7-9(8)11(14)16-5-2/h6-7H,4-5H2,1-3H3
InChIKeyAHYIDASGJOTSPP-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.38
Rot. Bonds4

About diethyl 1-methylpyrrole-3,4-dicarboxylate

diethyl 1-methylpyrrole-3,4-dicarboxylate (PubChem CID 14933712) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is diethyl 1-methylpyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-methylpyrrole-3,4-dicarboxylate
PubChem CID14933712
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namediethyl 1-methylpyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1cn(C)cc1C(=O)OCC
InChIInChI=1S/C11H15NO4/c1-4-15-10(13)8-6-12(3)7-9(8)11(14)16-5-2/h6-7H,4-5H2,1-3H3
InChIKeyAHYIDASGJOTSPP-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-methyl-1h-pyrrole-3-carboxylate
CID 235044
Diethyl 3,4-pyrroledicarboxylate
CID 688199
3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate
CID 5087326
Methyl 1-acetyl-1H-pyrrole-3-carboxylate
CID 15628876
ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
CID 14370786
1,4-dimethyl-1H-pyrrole-3-carboxylic acid
CID 20262086
2-(3-(methoxycarbonyl)-1H-pyrrol-1-yl)acetic acid
CID 90040495
1-Methyl-1H-pyrrole-3,4-dicarboxylic acid
CID 12958484
4-methyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylic acid
CID 102537632
Methyl 1-pent-4-ynylpyrrole-3-carboxylate
CID 177800375
dimethyl 2-trimethylstannyl-1H-pyrrole-3,4-dicarboxylate
CID 10759979
1-O-tert-butyl 3-O,4-O-diethyl pyrrole-1,3,4-tricarboxylate
CID 15814431

Frequently Asked Questions

What is the IUPAC name of diethyl 1-methylpyrrole-3,4-dicarboxylate?
The IUPAC name of diethyl 1-methylpyrrole-3,4-dicarboxylate (CID 14933712) is diethyl 1-methylpyrrole-3,4-dicarboxylate.
What is the SMILES notation for diethyl 1-methylpyrrole-3,4-dicarboxylate?
The canonical SMILES for diethyl 1-methylpyrrole-3,4-dicarboxylate is CCOC(=O)c1cn(C)cc1C(=O)OCC.
What is the InChIKey of diethyl 1-methylpyrrole-3,4-dicarboxylate?
The InChIKey is AHYIDASGJOTSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-15-10(13)8-6-12(3)7-9(8)11(14)16-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of diethyl 1-methylpyrrole-3,4-dicarboxylate?
diethyl 1-methylpyrrole-3,4-dicarboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-methylpyrrole-3,4-dicarboxylate is sourced from PubChem (CID 14933712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).