4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol

C11H21NO2 — CID 127008908

IUPAC4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
SMILESCC1CN(CC2CCCCO2)CC1O
InChIInChI=1S/C11H21NO2/c1-9-6-12(8-11(9)13)7-10-4-2-3-5-14-10/h9-11,13H,2-8H2,1H3
InChIKeyHZUFIKUIZZENBF-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.87
Rot. Bonds2

About 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol

4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 127008908) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
PubChem CID127008908
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol
SMILESCC1CN(CC2CCCCO2)CC1O
InChIInChI=1S/C11H21NO2/c1-9-6-12(8-11(9)13)7-10-4-2-3-5-14-10/h9-11,13H,2-8H2,1H3
InChIKeyHZUFIKUIZZENBF-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63721061
4-ethyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-ol
CID 130871454
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
5-methyl-1-(oxan-2-ylmethyl)piperidin-3-amine
CID 79993170
3-methyl-1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 114502307
1-(oxan-2-ylmethyl)piperazine
CID 14981447
3-bromo-4-ethyl-1-(oxan-2-ylmethyl)pyrrolidine
CID 130857569
1-(oxolan-2-ylmethyl)azetidin-3-amine
CID 63760708
1-[4-[(3S,4S)-4-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837891
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol (CID 127008908) is 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol is CC1CN(CC2CCCCO2)CC1O.
What is the InChIKey of 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is HZUFIKUIZZENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-6-12(8-11(9)13)7-10-4-2-3-5-14-10/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol?
4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 199.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 127008908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).