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

C11H21NO2 — CID 102787800

IUPAC[3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2CCOC2)C1CO
InChIInChI=1S/C11H21NO2/c1-9-2-4-12(11(9)7-13)6-10-3-5-14-8-10/h9-11,13H,2-8H2,1H3
InChIKeyBVQAWIMIHVWBNJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.73
Rot. Bonds3

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

[3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 102787800) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID102787800
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2CCOC2)C1CO
InChIInChI=1S/C11H21NO2/c1-9-2-4-12(11(9)7-13)6-10-3-5-14-8-10/h9-11,13H,2-8H2,1H3
InChIKeyBVQAWIMIHVWBNJ-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol (CID 102787800) is [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol is CC1CCN(CC2CCOC2)C1CO.
What is the InChIKey of [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is BVQAWIMIHVWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-2-4-12(11(9)7-13)6-10-3-5-14-8-10/h9-11,13H,2-8H2,1H3.
What are the key properties of [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 199.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(oxolan-3-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102787800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).