1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone

C10H13NO2 — CID 82375805

IUPAC1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone
SMILESCC(=O)c1ccc(N2CCCC2)o1
InChIInChI=1S/C10H13NO2/c1-8(12)9-4-5-10(13-9)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3
InChIKeyUGJSMWCJWZJOOX-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.08
Rot. Bonds2

About 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone

1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone (PubChem CID 82375805) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone
PubChem CID82375805
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone
SMILESCC(=O)c1ccc(N2CCCC2)o1
InChIInChI=1S/C10H13NO2/c1-8(12)9-4-5-10(13-9)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3
InChIKeyUGJSMWCJWZJOOX-UHFFFAOYSA-N
XLogP2.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone?
The IUPAC name of 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone (CID 82375805) is 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone?
The canonical SMILES for 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone is CC(=O)c1ccc(N2CCCC2)o1.
What is the InChIKey of 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone?
The InChIKey is UGJSMWCJWZJOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)9-4-5-10(13-9)11-6-2-3-7-11/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone?
1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone is sourced from PubChem (CID 82375805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).