[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol

C11H23NO2 — CID 106456281

IUPAC[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
SMILESCCCOCCN1CCC(C)C1CO
InChIInChI=1S/C11H23NO2/c1-3-7-14-8-6-12-5-4-10(2)11(12)9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyRPADHNUOFZLPMT-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.12
Rot. Bonds6

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

[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol (PubChem CID 106456281) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
PubChem CID106456281
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
SMILESCCCOCCN1CCC(C)C1CO
InChIInChI=1S/C11H23NO2/c1-3-7-14-8-6-12-5-4-10(2)11(12)9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyRPADHNUOFZLPMT-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

((2S)-1-(2-methoxyethyl)pyrrolidin-2-yl)methanol
CID 59701827
N-hydroxyethyl-2-(1-methylbutyl)-1,3-oxazolidine
CID 21188318
3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]propan-1-ol
CID 58778737
4-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]butan-1-ol
CID 58778782
[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 127004508
[4-Fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 130709579
5-[(2-Methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol
CID 138660229
[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
CID 146624888
5-(Methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol
CID 153271982
1-Butan-2-yl-5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol
CID 153580077
4-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methoxy]butan-1-ol
CID 163845176
[(4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol
CID 166959144

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol (CID 106456281) is [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol is CCCOCCN1CCC(C)C1CO.
What is the InChIKey of [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol?
The InChIKey is RPADHNUOFZLPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-7-14-8-6-12-5-4-10(2)11(12)9-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 106456281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).