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

C11H15NO3 — CID 103534376

IUPAC1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone
SMILESCOC1CCN(c2ccc(C(C)=O)o2)C1
InChIInChI=1S/C11H15NO3/c1-8(13)10-3-4-11(15-10)12-6-5-9(7-12)14-2/h3-4,9H,5-7H2,1-2H3
InChIKeyFSLGYTZTFBFUGO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.71
Rot. Bonds3

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

1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone (PubChem CID 103534376) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone
PubChem CID103534376
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone
SMILESCOC1CCN(c2ccc(C(C)=O)o2)C1
InChIInChI=1S/C11H15NO3/c1-8(13)10-3-4-11(15-10)12-6-5-9(7-12)14-2/h3-4,9H,5-7H2,1-2H3
InChIKeyFSLGYTZTFBFUGO-UHFFFAOYSA-N
XLogP1.71
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone (CID 103534376) is 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone is COC1CCN(c2ccc(C(C)=O)o2)C1.
What is the InChIKey of 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone?
The InChIKey is FSLGYTZTFBFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)10-3-4-11(15-10)12-6-5-9(7-12)14-2/h3-4,9H,5-7H2,1-2H3.
What are the key properties of 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone?
1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone has a molecular weight of 209.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone is sourced from PubChem (CID 103534376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).