2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol

C10H21NO3 — CID 102786734

IUPAC2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
SMILESCC1CCN(CCOCCO)C1CO
InChIInChI=1S/C10H21NO3/c1-9-2-3-11(10(9)8-13)4-6-14-7-5-12/h9-10,12-13H,2-8H2,1H3
InChIKeyOBGKCDOCPQOVCV-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.30
Rot. Bonds6

About 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol

2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol (PubChem CID 102786734) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
PubChem CID102786734
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
SMILESCC1CCN(CCOCCO)C1CO
InChIInChI=1S/C10H21NO3/c1-9-2-3-11(10(9)8-13)4-6-14-7-5-12/h9-10,12-13H,2-8H2,1H3
InChIKeyOBGKCDOCPQOVCV-UHFFFAOYSA-N
XLogP-0.30
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

((2S)-1-(2-methoxyethyl)pyrrolidin-2-yl)methanol
CID 59701827
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
CID 102788011
[3-Methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788218
[3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788781
(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylbutan-2-ol
CID 10631918
2-(2-Methylpropoxy)-1-(1-methylpyrrolidin-2-yl)ethanol
CID 14209246
2-[3-(2-Hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate
CID 22945302
(2S,3S,4S)-1-(2-ethylbutyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 54138112
[1-(2-Methoxyethyl)pyrrolidin-2-yl]methanol
CID 57595829
[1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-yl]methanol
CID 57632684
[(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-yl]methanol
CID 57845750
(3R,4R,5R)-4-ethoxy-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 57868071

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol (CID 102786734) is 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol is CC1CCN(CCOCCO)C1CO.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol?
The InChIKey is OBGKCDOCPQOVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9-2-3-11(10(9)8-13)4-6-14-7-5-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol?
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol has a molecular weight of 203.28 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 102786734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).