2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone

C13H23NO3 — CID 79544158

IUPAC2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H23NO3/c1-2-17-9-13(16)14-8-4-6-11(14)10-5-3-7-12(10)15/h10-12,15H,2-9H2,1H3
InChIKeyOHXKQFFIDBVFTD-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.17
Rot. Bonds4

About 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone

2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone (PubChem CID 79544158) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
PubChem CID79544158
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H23NO3/c1-2-17-9-13(16)14-8-4-6-11(14)10-5-3-7-12(10)15/h10-12,15H,2-9H2,1H3
InChIKeyOHXKQFFIDBVFTD-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546527
1-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129447529
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603247
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643
2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 103164795
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 79545002
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 79539006
2-ethoxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410962
3,3,3-trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546605
N,N-diethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545752

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone (CID 79544158) is 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone is CCOCC(=O)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone?
The InChIKey is OHXKQFFIDBVFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-9-13(16)14-8-4-6-11(14)10-5-3-7-12(10)15/h10-12,15H,2-9H2,1H3.
What are the key properties of 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone?
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone has a molecular weight of 241.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 79544158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).