2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone

C8H11NO3 — CID 130682690

IUPAC2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(C1=CCCO1)N1CC(O)C1
InChIInChI=1S/C8H11NO3/c10-6-4-9(5-6)8(11)7-2-1-3-12-7/h2,6,10H,1,3-5H2
InChIKeyUMMXHNUAFZZPHS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.51
Rot. Bonds1

About 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone

2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 130682690) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone
PubChem CID130682690
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(C1=CCCO1)N1CC(O)C1
InChIInChI=1S/C8H11NO3/c10-6-4-9(5-6)8(11)7-2-1-3-12-7/h2,6,10H,1,3-5H2
InChIKeyUMMXHNUAFZZPHS-UHFFFAOYSA-N
XLogP-0.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone (CID 130682690) is 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone is O=C(C1=CCCO1)N1CC(O)C1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is UMMXHNUAFZZPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-4-9(5-6)8(11)7-2-1-3-12-7/h2,6,10H,1,3-5H2.
What are the key properties of 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone?
2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 169.18 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 130682690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).