diethyl 2,5-dihydropyrrole-1,3-dicarboxylate

C10H15NO4 — CID 14667720

IUPACdiethyl 2,5-dihydropyrrole-1,3-dicarboxylate
SMILESCCOC(=O)C1=CCN(C(=O)OCC)C1
InChIInChI=1S/C10H15NO4/c1-3-14-9(12)8-5-6-11(7-8)10(13)15-4-2/h5H,3-4,6-7H2,1-2H3
InChIKeyLPVBWMHACMKPLB-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.95
Rot. Bonds3

About diethyl 2,5-dihydropyrrole-1,3-dicarboxylate

diethyl 2,5-dihydropyrrole-1,3-dicarboxylate (PubChem CID 14667720) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is diethyl 2,5-dihydropyrrole-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,5-dihydropyrrole-1,3-dicarboxylate
PubChem CID14667720
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namediethyl 2,5-dihydropyrrole-1,3-dicarboxylate
SMILESCCOC(=O)C1=CCN(C(=O)OCC)C1
InChIInChI=1S/C10H15NO4/c1-3-14-9(12)8-5-6-11(7-8)10(13)15-4-2/h5H,3-4,6-7H2,1-2H3
InChIKeyLPVBWMHACMKPLB-UHFFFAOYSA-N
XLogP0.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dihydro-2h-pyridine-1,3-dicarboxylic acid 1-ethyl ester 3-methyl ester
CID 10680085
1-Tert-butyl 3-ethyl 1,2,5,6-tetrahydropyridine-1,3-dicarboxylate
CID 11379830
1-tert-butyl 3-ethyl 2,5-dihydro-1H-pyrrole-1,3-dicarboxylate
CID 53888126
5,6-Dihydro-2h-pyridine-1,3-dicarboxylic acid 1-isobutyl ester 3-methyl ester
CID 10610128
1-Butyl-5-oxo-2,5-dihydro-1h-pyrrole-3-carboxylic acid methyl ester
CID 11769448
tert-butyl N-(2-fluoroprop-2-enyl)-N-[(5-oxo-2H-furan-3-yl)methyl]carbamate
CID 135072060
Maleimidopropyl methacrylate
CID 89428893
ethyl (E)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]but-2-enoate
CID 143930726
methyl 5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxylate
CID 176098907
5-Acetoxy-1-acetyl-3-pyrrolin-2-one
CID 11019519
dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 11694097
dimethyl (Z)-2-[(dimethylamino)methyl]but-2-enedioate
CID 134861649

Frequently Asked Questions

What is the IUPAC name of diethyl 2,5-dihydropyrrole-1,3-dicarboxylate?
The IUPAC name of diethyl 2,5-dihydropyrrole-1,3-dicarboxylate (CID 14667720) is diethyl 2,5-dihydropyrrole-1,3-dicarboxylate.
What is the SMILES notation for diethyl 2,5-dihydropyrrole-1,3-dicarboxylate?
The canonical SMILES for diethyl 2,5-dihydropyrrole-1,3-dicarboxylate is CCOC(=O)C1=CCN(C(=O)OCC)C1.
What is the InChIKey of diethyl 2,5-dihydropyrrole-1,3-dicarboxylate?
The InChIKey is LPVBWMHACMKPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-14-9(12)8-5-6-11(7-8)10(13)15-4-2/h5H,3-4,6-7H2,1-2H3.
What are the key properties of diethyl 2,5-dihydropyrrole-1,3-dicarboxylate?
diethyl 2,5-dihydropyrrole-1,3-dicarboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,5-dihydropyrrole-1,3-dicarboxylate is sourced from PubChem (CID 14667720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).