ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate

C13H21NO2 — CID 91206682

IUPACethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)CC1CCC=C1N1CCCC1
InChIInChI=1S/C13H21NO2/c1-2-16-13(15)10-11-6-5-7-12(11)14-8-3-4-9-14/h7,11H,2-6,8-10H2,1H3
InChIKeyDSOLXSFROPYCDP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds4

About ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate

ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate (PubChem CID 91206682) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate
PubChem CID91206682
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)CC1CCC=C1N1CCCC1
InChIInChI=1S/C13H21NO2/c1-2-16-13(15)10-11-6-5-7-12(11)14-8-3-4-9-14/h7,11H,2-6,8-10H2,1H3
InChIKeyDSOLXSFROPYCDP-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate?
The IUPAC name of ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate (CID 91206682) is ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate is CCOC(=O)CC1CCC=C1N1CCCC1.
What is the InChIKey of ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate?
The InChIKey is DSOLXSFROPYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-16-13(15)10-11-6-5-7-12(11)14-8-3-4-9-14/h7,11H,2-6,8-10H2,1H3.
What are the key properties of ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate?
ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate has a molecular weight of 223.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyrrolidin-1-ylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 91206682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).