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

C11H21NO2 — CID 117021952

IUPAC[2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCC1C(CO)CCN1CC1CCCO1
InChIInChI=1S/C11H21NO2/c1-9-10(8-13)4-5-12(9)7-11-3-2-6-14-11/h9-11,13H,2-8H2,1H3
InChIKeyRRABYRXRTVESAA-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.87
Rot. Bonds3

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

[2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 117021952) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID117021952
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCC1C(CO)CCN1CC1CCCO1
InChIInChI=1S/C11H21NO2/c1-9-10(8-13)4-5-12(9)7-11-3-2-6-14-11/h9-11,13H,2-8H2,1H3
InChIKeyRRABYRXRTVESAA-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol (CID 117021952) is [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol is CC1C(CO)CCN1CC1CCCO1.
What is the InChIKey of [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is RRABYRXRTVESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-10(8-13)4-5-12(9)7-11-3-2-6-14-11/h9-11,13H,2-8H2,1H3.
What are the key properties of [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol?
[2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 199.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117021952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).