3-(3-methoxypyrrolidin-1-yl)oxan-4-ol

C10H19NO3 — CID 103537640

IUPAC3-(3-methoxypyrrolidin-1-yl)oxan-4-ol
SMILESCOC1CCN(C2COCCC2O)C1
InChIInChI=1S/C10H19NO3/c1-13-8-2-4-11(6-8)9-7-14-5-3-10(9)12/h8-10,12H,2-7H2,1H3
InChIKeyDDISDMTZUKFZGN-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.14
Rot. Bonds2

About 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol

3-(3-methoxypyrrolidin-1-yl)oxan-4-ol (PubChem CID 103537640) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)oxan-4-ol
PubChem CID103537640
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(3-methoxypyrrolidin-1-yl)oxan-4-ol
SMILESCOC1CCN(C2COCCC2O)C1
InChIInChI=1S/C10H19NO3/c1-13-8-2-4-11(6-8)9-7-14-5-3-10(9)12/h8-10,12H,2-7H2,1H3
InChIKeyDDISDMTZUKFZGN-UHFFFAOYSA-N
XLogP-0.14
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol (CID 103537640) is 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol is COC1CCN(C2COCCC2O)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol?
The InChIKey is DDISDMTZUKFZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-8-2-4-11(6-8)9-7-14-5-3-10(9)12/h8-10,12H,2-7H2,1H3.
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol?
3-(3-methoxypyrrolidin-1-yl)oxan-4-ol has a molecular weight of 201.27 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)oxan-4-ol is sourced from PubChem (CID 103537640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).