2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol

C11H23NO3 — CID 170631358

IUPAC2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol
SMILESCOCCOC1CCN(C(C)(C)CO)C1
InChIInChI=1S/C11H23NO3/c1-11(2,9-13)12-5-4-10(8-12)15-7-6-14-3/h10,13H,4-9H2,1-3H3
InChIKeyQBDVKPLLOVZFPQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.49
Rot. Bonds6

About 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol

2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol (PubChem CID 170631358) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol
PubChem CID170631358
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol
SMILESCOCCOC1CCN(C(C)(C)CO)C1
InChIInChI=1S/C11H23NO3/c1-11(2,9-13)12-5-4-10(8-12)15-7-6-14-3/h10,13H,4-9H2,1-3H3
InChIKeyQBDVKPLLOVZFPQ-UHFFFAOYSA-N
XLogP0.49
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Tert-butylpyrrolidin-3-ol
CID 21702735
alpha-((2-Methylpropoxy)methyl)pyrrolidine-1-ethanol
CID 6452140
1-Propan-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 15832495
(S)-3-(1,1-Dimethylethyl)oxazolidine-5-methanol
CID 121778
[(5S)-3-tert-butyl-1,3-oxazolidin-5-yl]methanol
CID 21120093
3-Butoxy-1-pyrrolidinylpropan-2-ol
CID 3146693
1-Tert-butyl-3,4-dimethoxypyrrolidine
CID 12349494
1-Methoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 13914764
alpha-[(2,2-Dimethylpropoxy)methyl]-1-pyrrolidineethanol
CID 14097087
1-[3-(1,1-Dimethylethoxy)-2-hydroxypropyl]pyrrolidine
CID 14097090
4-Methoxy-1-methyl-pyrrolidin-3-ol
CID 18406065
3-(2-Methoxyethoxy)-1-methylpyrrolidine
CID 18723111

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol (CID 170631358) is 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol is COCCOC1CCN(C(C)(C)CO)C1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol?
The InChIKey is QBDVKPLLOVZFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,9-13)12-5-4-10(8-12)15-7-6-14-3/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol?
2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 170631358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).