1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol

C11H21NO3 — CID 63746761

IUPAC1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
SMILESOCC1(CN2CCC(O)C2)CCCOC1
InChIInChI=1S/C11H21NO3/c13-8-11(3-1-5-15-9-11)7-12-4-2-10(14)6-12/h10,13-14H,1-9H2
InChIKeyAQZSWMFIGLTOMO-UHFFFAOYSA-N
MW215.29 g/mol
LogP-0.16
Rot. Bonds3

About 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol

1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 63746761) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
PubChem CID63746761
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
SMILESOCC1(CN2CCC(O)C2)CCCOC1
InChIInChI=1S/C11H21NO3/c13-8-11(3-1-5-15-9-11)7-12-4-2-10(14)6-12/h10,13-14H,1-9H2
InChIKeyAQZSWMFIGLTOMO-UHFFFAOYSA-N
XLogP-0.16
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol (CID 63746761) is 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol is OCC1(CN2CCC(O)C2)CCCOC1.
What is the InChIKey of 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is AQZSWMFIGLTOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c13-8-11(3-1-5-15-9-11)7-12-4-2-10(14)6-12/h10,13-14H,1-9H2.
What are the key properties of 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol?
1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 215.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 63746761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).