ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

C14H21NO5 — CID 73192851

IUPACethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCCOC(=O)CC1CCN2C(=O)CCC12C(=O)OCC
InChIInChI=1S/C14H21NO5/c1-3-19-12(17)9-10-6-8-15-11(16)5-7-14(10,15)13(18)20-4-2/h10H,3-9H2,1-2H3
InChIKeyNKICNDCANINIHA-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.88
Rot. Bonds5

About ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate

ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (PubChem CID 73192851) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
PubChem CID73192851
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
SMILESCCOC(=O)CC1CCN2C(=O)CCC12C(=O)OCC
InChIInChI=1S/C14H21NO5/c1-3-19-12(17)9-10-6-8-15-11(16)5-7-14(10,15)13(18)20-4-2/h10H,3-9H2,1-2H3
InChIKeyNKICNDCANINIHA-UHFFFAOYSA-N
XLogP0.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate (CID 73192851) is ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is CCOC(=O)CC1CCN2C(=O)CCC12C(=O)OCC.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
The InChIKey is NKICNDCANINIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-3-19-12(17)9-10-6-8-15-11(16)5-7-14(10,15)13(18)20-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate?
ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate is sourced from PubChem (CID 73192851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).