diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate

C14H22N2O4 — CID 19392563

IUPACdiethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(N2CCCC2)=CN1C(=O)OCC
InChIInChI=1S/C14H22N2O4/c1-3-19-13(17)12-9-11(15-7-5-6-8-15)10-16(12)14(18)20-4-2/h10,12H,3-9H2,1-2H3
InChIKeyPJLZPLXURMTLLZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.72
Rot. Bonds4

About diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate

diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate (PubChem CID 19392563) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate
PubChem CID19392563
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namediethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate
SMILESCCOC(=O)C1CC(N2CCCC2)=CN1C(=O)OCC
InChIInChI=1S/C14H22N2O4/c1-3-19-13(17)12-9-11(15-7-5-6-8-15)10-16(12)14(18)20-4-2/h10,12H,3-9H2,1-2H3
InChIKeyPJLZPLXURMTLLZ-UHFFFAOYSA-N
XLogP1.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate?
The IUPAC name of diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate (CID 19392563) is diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate is CCOC(=O)C1CC(N2CCCC2)=CN1C(=O)OCC.
What is the InChIKey of diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate?
The InChIKey is PJLZPLXURMTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-19-13(17)12-9-11(15-7-5-6-8-15)10-16(12)14(18)20-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate?
diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-pyrrolidin-1-yl-2,3-dihydropyrrole-1,2-dicarboxylate is sourced from PubChem (CID 19392563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).