1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone

C16H19NO3 — CID 64596560

IUPAC1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCN(CC(=O)c2coc3ccccc23)C1
InChIInChI=1S/C16H19NO3/c1-19-10-12-6-7-17(8-12)9-15(18)14-11-20-16-5-3-2-4-13(14)16/h2-5,11-12H,6-10H2,1H3
InChIKeyRMPLOWDFQWCTJL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.58
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone

1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 64596560) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID64596560
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCN(CC(=O)c2coc3ccccc23)C1
InChIInChI=1S/C16H19NO3/c1-19-10-12-6-7-17(8-12)9-15(18)14-11-20-16-5-3-2-4-13(14)16/h2-5,11-12H,6-10H2,1H3
InChIKeyRMPLOWDFQWCTJL-UHFFFAOYSA-N
XLogP2.58
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 64596560) is 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone is COCC1CCN(CC(=O)c2coc3ccccc23)C1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is RMPLOWDFQWCTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-10-12-6-7-17(8-12)9-15(18)14-11-20-16-5-3-2-4-13(14)16/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 273.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 64596560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).