ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate

C11H19NO2 — CID 13463200

IUPACethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate
SMILESCCOC(=O)CC12CCCN1CCC2
InChIInChI=1S/C11H19NO2/c1-2-14-10(13)9-11-5-3-7-12(11)8-4-6-11/h2-9H2,1H3
InChIKeyVKIVANHGDYINSJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.57
Rot. Bonds3

About ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate

ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate (PubChem CID 13463200) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate
PubChem CID13463200
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate
SMILESCCOC(=O)CC12CCCN1CCC2
InChIInChI=1S/C11H19NO2/c1-2-14-10(13)9-11-5-3-7-12(11)8-4-6-11/h2-9H2,1H3
InChIKeyVKIVANHGDYINSJ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate?
The IUPAC name of ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate (CID 13463200) is ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate?
The canonical SMILES for ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate is CCOC(=O)CC12CCCN1CCC2.
What is the InChIKey of ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate?
The InChIKey is VKIVANHGDYINSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-10(13)9-11-5-3-7-12(11)8-4-6-11/h2-9H2,1H3.
What are the key properties of ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate?
ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate has a molecular weight of 197.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetate is sourced from PubChem (CID 13463200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).