2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol

C11H23NO2 — CID 106456274

IUPAC2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
SMILESCCCOCCN1CCC(CCO)C1
InChIInChI=1S/C11H23NO2/c1-2-8-14-9-6-12-5-3-11(10-12)4-7-13/h11,13H,2-10H2,1H3
InChIKeyLYWRYBUIACLFMI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.12
Rot. Bonds7

About 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol

2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol (PubChem CID 106456274) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
PubChem CID106456274
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
SMILESCCCOCCN1CCC(CCO)C1
InChIInChI=1S/C11H23NO2/c1-2-8-14-9-6-12-5-3-11(10-12)4-7-13/h11,13H,2-10H2,1H3
InChIKeyLYWRYBUIACLFMI-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
CID 62358329
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449
N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 106453503
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
CID 80691458
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol (CID 106456274) is 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol is CCCOCCN1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is LYWRYBUIACLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-8-14-9-6-12-5-3-11(10-12)4-7-13/h11,13H,2-10H2,1H3.
What are the key properties of 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 201.31 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 106456274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).