2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone

C15H22N2O2 — CID 125006542

IUPAC2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C15H22N2O2/c1-2-19-12-15(18)17-11-3-4-14(17)6-5-13-7-9-16-10-8-13/h7-10,14H,2-6,11-12H2,1H3/t14-/m0/s1
InChIKeyUGYUBOLAMVVSEM-AWEZNQCLSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds6

About 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone

2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone (PubChem CID 125006542) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
PubChem CID125006542
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C15H22N2O2/c1-2-19-12-15(18)17-11-3-4-14(17)6-5-13-7-9-16-10-8-13/h7-10,14H,2-6,11-12H2,1H3/t14-/m0/s1
InChIKeyUGYUBOLAMVVSEM-AWEZNQCLSA-N
XLogP2.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 124948555
2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103555
3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 124959275
1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996955
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 125012369
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410962
(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone (CID 125006542) is 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone is CCOCC(=O)N1CCC[C@H]1CCc1ccncc1.
What is the InChIKey of 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is UGYUBOLAMVVSEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-12-15(18)17-11-3-4-14(17)6-5-13-7-9-16-10-8-13/h7-10,14H,2-6,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone?
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125006542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).