2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone

C9H13NO2 — CID 131059173

IUPAC2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone
SMILESCC1(C(=O)C2=CCCO2)CNC1
InChIInChI=1S/C9H13NO2/c1-9(5-10-6-9)8(11)7-3-2-4-12-7/h3,10H,2,4-6H2,1H3
InChIKeyRANWHKFTYZPRGC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.47
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone

2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone (PubChem CID 131059173) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone
PubChem CID131059173
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone
SMILESCC1(C(=O)C2=CCCO2)CNC1
InChIInChI=1S/C9H13NO2/c1-9(5-10-6-9)8(11)7-3-2-4-12-7/h3,10H,2,4-6H2,1H3
InChIKeyRANWHKFTYZPRGC-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone (CID 131059173) is 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone is CC1(C(=O)C2=CCCO2)CNC1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone?
The InChIKey is RANWHKFTYZPRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(5-10-6-9)8(11)7-3-2-4-12-7/h3,10H,2,4-6H2,1H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone?
2,3-dihydrofuran-5-yl-(3-methylazetidin-3-yl)methanone has a molecular weight of 167.21 g/mol, XLogP of 0.47, 2 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-methylazetidin-3-yl)methanone is sourced from PubChem (CID 131059173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).