3-(furan-3-yl)-1-methylpyrrolidin-3-ol

C9H13NO2 — CID 63947516

IUPAC3-(furan-3-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2ccoc2)C1
InChIInChI=1S/C9H13NO2/c1-10-4-3-9(11,7-10)8-2-5-12-6-8/h2,5-6,11H,3-4,7H2,1H3
InChIKeyRJDRPZIJMCMPMH-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds1

About 3-(furan-3-yl)-1-methylpyrrolidin-3-ol

3-(furan-3-yl)-1-methylpyrrolidin-3-ol (PubChem CID 63947516) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(furan-3-yl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(furan-3-yl)-1-methylpyrrolidin-3-ol
PubChem CID63947516
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(furan-3-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2ccoc2)C1
InChIInChI=1S/C9H13NO2/c1-10-4-3-9(11,7-10)8-2-5-12-6-8/h2,5-6,11H,3-4,7H2,1H3
InChIKeyRJDRPZIJMCMPMH-UHFFFAOYSA-N
XLogP0.80
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(furan-3-yl)-1-methylpyrrolidin-3-ol (CID 63947516) is 3-(furan-3-yl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(furan-3-yl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(furan-3-yl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(c2ccoc2)C1.
What is the InChIKey of 3-(furan-3-yl)-1-methylpyrrolidin-3-ol?
The InChIKey is RJDRPZIJMCMPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-4-3-9(11,7-10)8-2-5-12-6-8/h2,5-6,11H,3-4,7H2,1H3.
What are the key properties of 3-(furan-3-yl)-1-methylpyrrolidin-3-ol?
3-(furan-3-yl)-1-methylpyrrolidin-3-ol has a molecular weight of 167.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 63947516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).