ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate

C11H19NO2 — CID 55267378

IUPACethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate
SMILESCCOC(=O)CC1CCN2CCCC12
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)8-9-5-7-12-6-3-4-10(9)12/h9-10H,2-8H2,1H3
InChIKeyOEKMLPSTVFPOBX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds3

About ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate

ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate (PubChem CID 55267378) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate
PubChem CID55267378
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate
SMILESCCOC(=O)CC1CCN2CCCC12
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)8-9-5-7-12-6-3-4-10(9)12/h9-10H,2-8H2,1H3
InChIKeyOEKMLPSTVFPOBX-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (1R,7aR)-hexahydro-1H-pyrrolizine-1-carboxylate
CID 12345304
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 558075
ethyl (1R,7aR)-hexahydro-1H-pyrrolizine-1-carboxylate
CID 11240842
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-methylbutanoate
CID 163053575
ethyl 2,2-difluoro-3-[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]propanoate
CID 170003847
ethyl 2,2-difluoro-3-[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]propanoate
CID 170003876
ethyl 2-fluoro-3-[(2R,3S,8S)-2-fluoro-3-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]propanoate
CID 174086850
(+)-1-Hydroxymethyl-pyrrolizidine butanoic acid ester
CID 67189194
ethyl hexahydro-1H-pyrrolizine-1-carboxylate
CID 11805402
ethyl (1S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 13088886
(3-Ethoxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate
CID 85682760
ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 134924768

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate (CID 55267378) is ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate is CCOC(=O)CC1CCN2CCCC12.
What is the InChIKey of ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate?
The InChIKey is OEKMLPSTVFPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)8-9-5-7-12-6-3-4-10(9)12/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate?
ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate has a molecular weight of 197.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetate is sourced from PubChem (CID 55267378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).