ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate

C12H19NO3 — CID 168990862

IUPACethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate
SMILESCCOC(=O)C12CCCN1C1CCOC1C2
InChIInChI=1S/C12H19NO3/c1-2-15-11(14)12-5-3-6-13(12)9-4-7-16-10(9)8-12/h9-10H,2-8H2,1H3
InChIKeyBRFNDDOJJIZAOU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.95
Rot. Bonds2

About ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate

ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate (PubChem CID 168990862) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate.

Molecular Properties

Compound Nameethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate
PubChem CID168990862
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate
SMILESCCOC(=O)C12CCCN1C1CCOC1C2
InChIInChI=1S/C12H19NO3/c1-2-15-11(14)12-5-3-6-13(12)9-4-7-16-10(9)8-12/h9-10H,2-8H2,1H3
InChIKeyBRFNDDOJJIZAOU-UHFFFAOYSA-N
XLogP0.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate?
The IUPAC name of ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate (CID 168990862) is ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate.
What is the SMILES notation for ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate?
The canonical SMILES for ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate is CCOC(=O)C12CCCN1C1CCOC1C2.
What is the InChIKey of ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate?
The InChIKey is BRFNDDOJJIZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-15-11(14)12-5-3-6-13(12)9-4-7-16-10(9)8-12/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate?
ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,3a,5,6,7,8,8a-octahydrofuro[2,3-b]pyrrolizine-7a-carboxylate is sourced from PubChem (CID 168990862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).