furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C11H15NO3 — CID 102738155

IUPACfuran-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2ccoc2)C1CO
InChIInChI=1S/C11H15NO3/c1-8-2-4-12(10(8)6-13)11(14)9-3-5-15-7-9/h3,5,7-8,10,13H,2,4,6H2,1H3
InChIKeyNXFMCTAASXZKMI-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.12
Rot. Bonds2

About furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102738155) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102738155
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namefuran-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)c2ccoc2)C1CO
InChIInChI=1S/C11H15NO3/c1-8-2-4-12(10(8)6-13)11(14)9-3-5-15-7-9/h3,5,7-8,10,13H,2,4,6H2,1H3
InChIKeyNXFMCTAASXZKMI-UHFFFAOYSA-N
XLogP1.12
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102738155) is furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)c2ccoc2)C1CO.
What is the InChIKey of furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is NXFMCTAASXZKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-2-4-12(10(8)6-13)11(14)9-3-5-15-7-9/h3,5,7-8,10,13H,2,4,6H2,1H3.
What are the key properties of furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 209.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102738155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).