4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol

C10H19NO3 — CID 127006344

IUPAC4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol
SMILESCC1(CO)CCN(C2COCC2O)C1
InChIInChI=1S/C10H19NO3/c1-10(7-12)2-3-11(6-10)8-4-14-5-9(8)13/h8-9,12-13H,2-7H2,1H3
InChIKeyUOTISRZLPJFMLM-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.55
Rot. Bonds2

About 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol

4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol (PubChem CID 127006344) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol
PubChem CID127006344
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol
SMILESCC1(CO)CCN(C2COCC2O)C1
InChIInChI=1S/C10H19NO3/c1-10(7-12)2-3-11(6-10)8-4-14-5-9(8)13/h8-9,12-13H,2-7H2,1H3
InChIKeyUOTISRZLPJFMLM-UHFFFAOYSA-N
XLogP-0.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol?
The IUPAC name of 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol (CID 127006344) is 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol is CC1(CO)CCN(C2COCC2O)C1.
What is the InChIKey of 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol?
The InChIKey is UOTISRZLPJFMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(7-12)2-3-11(6-10)8-4-14-5-9(8)13/h8-9,12-13H,2-7H2,1H3.
What are the key properties of 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol?
4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol has a molecular weight of 201.27 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]oxolan-3-ol is sourced from PubChem (CID 127006344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).