1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone

C11H15NO3 — CID 104651846

IUPAC1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCC(CO)C2)o1
InChIInChI=1S/C11H15NO3/c1-8(14)10-2-3-11(15-10)12-5-4-9(6-12)7-13/h2-3,9,13H,4-7H2,1H3
InChIKeyXSVCAVWIBSTVBA-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.30
Rot. Bonds3

About 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone

1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone (PubChem CID 104651846) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone
PubChem CID104651846
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCC(CO)C2)o1
InChIInChI=1S/C11H15NO3/c1-8(14)10-2-3-11(15-10)12-5-4-9(6-12)7-13/h2-3,9,13H,4-7H2,1H3
InChIKeyXSVCAVWIBSTVBA-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

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Related Compounds

1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone
CID 104651765
[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626287
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
5-[3-(methylcarbamoyl)piperidin-1-yl]furan-2-carboxylic acid
CID 103196251
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
CID 112625893
5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626066
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 68507262
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone (CID 104651846) is 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone is CC(=O)c1ccc(N2CCC(CO)C2)o1.
What is the InChIKey of 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone?
The InChIKey is XSVCAVWIBSTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(14)10-2-3-11(15-10)12-5-4-9(6-12)7-13/h2-3,9,13H,4-7H2,1H3.
What are the key properties of 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone?
1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone 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 1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone is sourced from PubChem (CID 104651846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).