3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol

C9H15NO2 — CID 130578948

IUPAC3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C2=COCC2)C1
InChIInChI=1S/C9H15NO2/c1-10-4-3-9(11,7-10)8-2-5-12-6-8/h6,11H,2-5,7H2,1H3
InChIKeyYIZLXZVRDHQERD-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.36
Rot. Bonds1

About 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol

3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol (PubChem CID 130578948) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol
PubChem CID130578948
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C2=COCC2)C1
InChIInChI=1S/C9H15NO2/c1-10-4-3-9(11,7-10)8-2-5-12-6-8/h6,11H,2-5,7H2,1H3
InChIKeyYIZLXZVRDHQERD-UHFFFAOYSA-N
XLogP0.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-Dihydrofuran-4-yl)-1,5-dimethylpyrrolidin-3-ol
CID 130579063
3-(2,3-Dihydrofuran-4-yl)-1-ethylpyrrolidin-3-ol
CID 130700569

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol (CID 130578948) is 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(C2=COCC2)C1.
What is the InChIKey of 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol?
The InChIKey is YIZLXZVRDHQERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-4-3-9(11,7-10)8-2-5-12-6-8/h6,11H,2-5,7H2,1H3.
What are the key properties of 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol?
3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol has a molecular weight of 169.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrofuran-4-yl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 130578948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).