5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde

C11H15NO3 — CID 102781885

IUPAC5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde
SMILESCC1CCN(c2ccc(C=O)o2)C1CO
InChIInChI=1S/C11H15NO3/c1-8-4-5-12(10(8)7-14)11-3-2-9(6-13)15-11/h2-3,6,8,10,14H,4-5,7H2,1H3
InChIKeyWGXNUFYDJXUTST-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.30
Rot. Bonds3

About 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde

5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde (PubChem CID 102781885) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde
PubChem CID102781885
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde
SMILESCC1CCN(c2ccc(C=O)o2)C1CO
InChIInChI=1S/C11H15NO3/c1-8-4-5-12(10(8)7-14)11-3-2-9(6-13)15-11/h2-3,6,8,10,14H,4-5,7H2,1H3
InChIKeyWGXNUFYDJXUTST-UHFFFAOYSA-N
XLogP1.30
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde (CID 102781885) is 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde is CC1CCN(c2ccc(C=O)o2)C1CO.
What is the InChIKey of 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde?
The InChIKey is WGXNUFYDJXUTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-4-5-12(10(8)7-14)11-3-2-9(6-13)15-11/h2-3,6,8,10,14H,4-5,7H2,1H3.
What are the key properties of 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde?
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde has a molecular weight of 209.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde is sourced from PubChem (CID 102781885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).