ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate

C12H16N2O2 — CID 2777155

IUPACethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyNESBODWIJLONJA-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.38
Rot. Bonds2

About ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate

ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate (PubChem CID 2777155) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate
PubChem CID2777155
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyNESBODWIJLONJA-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate (CID 2777155) is ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1c1cccnc1.
What is the InChIKey of ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate?
The InChIKey is NESBODWIJLONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3.
What are the key properties of ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate?
ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 2777155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).