2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone

C9H13NO2 — CID 102652516

IUPAC2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESO=C(CC1CNC1)C1=CCCO1
InChIInChI=1S/C9H13NO2/c11-8(4-7-5-10-6-7)9-2-1-3-12-9/h2,7,10H,1,3-6H2
InChIKeyPIEHKDSPBQAXCW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.47
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone

2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone (PubChem CID 102652516) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone
PubChem CID102652516
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone
SMILESO=C(CC1CNC1)C1=CCCO1
InChIInChI=1S/C9H13NO2/c11-8(4-7-5-10-6-7)9-2-1-3-12-9/h2,7,10H,1,3-6H2
InChIKeyPIEHKDSPBQAXCW-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone (CID 102652516) is 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone is O=C(CC1CNC1)C1=CCCO1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone?
The InChIKey is PIEHKDSPBQAXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-8(4-7-5-10-6-7)9-2-1-3-12-9/h2,7,10H,1,3-6H2.
What are the key properties of 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone?
2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(2,3-dihydrofuran-5-yl)ethanone is sourced from PubChem (CID 102652516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).