2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol

C13H25NO3 — CID 114799729

IUPAC2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCOC2CCCCO2)C1
InChIInChI=1S/C13H25NO3/c15-8-5-12-4-6-14(11-12)7-10-17-13-3-1-2-9-16-13/h12-13,15H,1-11H2
InChIKeyFUKHCPXUBWQYCH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.23
Rot. Bonds6

About 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol

2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 114799729) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID114799729
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCOC2CCCCO2)C1
InChIInChI=1S/C13H25NO3/c15-8-5-12-4-6-14(11-12)7-10-17-13-3-1-2-9-16-13/h12-13,15H,1-11H2
InChIKeyFUKHCPXUBWQYCH-UHFFFAOYSA-N
XLogP1.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63312916
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
CID 115300577
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
CID 124863525
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013774
3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol
CID 103358054
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
(5R)-6-[2-[(2S)-oxan-2-yl]oxyethyl]-2,9-dioxa-6-azaspiro[4.5]decane
CID 124830345

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol (CID 114799729) is 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(CCOC2CCCCO2)C1.
What is the InChIKey of 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is FUKHCPXUBWQYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c15-8-5-12-4-6-14(11-12)7-10-17-13-3-1-2-9-16-13/h12-13,15H,1-11H2.
What are the key properties of 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 243.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).