diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate

C13H17NO4 — CID 23045730

IUPACdiethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate
SMILESCCOC(=O)c1ccn2c1C(C(=O)OCC)CC2
InChIInChI=1S/C13H17NO4/c1-3-17-12(15)9-5-7-14-8-6-10(11(9)14)13(16)18-4-2/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyLIHGLELPJRJDTP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.72
Rot. Bonds4

About diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate

diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate (PubChem CID 23045730) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate
PubChem CID23045730
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namediethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate
SMILESCCOC(=O)c1ccn2c1C(C(=O)OCC)CC2
InChIInChI=1S/C13H17NO4/c1-3-17-12(15)9-5-7-14-8-6-10(11(9)14)13(16)18-4-2/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyLIHGLELPJRJDTP-UHFFFAOYSA-N
XLogP1.72
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylate
CID 70536042
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CID 70542435
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382
ethyl 6,7-diphenyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 151433800
ethyl 5H-pyrrolizine-1-carboxylate
CID 13273517
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
diethyl 5-(5-chloro-1-methylpyrrole-2-carbonyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate
CID 13424023
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
methyl 7-(2-ethoxy-2-oxoacetyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 172829635
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139944709

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate?
The IUPAC name of diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate (CID 23045730) is diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate.
What is the SMILES notation for diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate?
The canonical SMILES for diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate is CCOC(=O)c1ccn2c1C(C(=O)OCC)CC2.
What is the InChIKey of diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate?
The InChIKey is LIHGLELPJRJDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-17-12(15)9-5-7-14-8-6-10(11(9)14)13(16)18-4-2/h5,7,10H,3-4,6,8H2,1-2H3.
What are the key properties of diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate?
diethyl 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate has a molecular weight of 251.28 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 2,3-dihydro-1H-pyrrolizine-1,7-dicarboxylate is sourced from PubChem (CID 23045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).