2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one

C14H17NO2 — CID 114748121

IUPAC2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one
SMILESCC(C(=O)c1cccc2c1OCC2)C1CNC1
InChIInChI=1S/C14H17NO2/c1-9(11-7-15-8-11)13(16)12-4-2-3-10-5-6-17-14(10)12/h2-4,9,11,15H,5-8H2,1H3
InChIKeyMOASYLYYEZFCOE-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one

2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one (PubChem CID 114748121) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one
PubChem CID114748121
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one
SMILESCC(C(=O)c1cccc2c1OCC2)C1CNC1
InChIInChI=1S/C14H17NO2/c1-9(11-7-15-8-11)13(16)12-4-2-3-10-5-6-17-14(10)12/h2-4,9,11,15H,5-8H2,1H3
InChIKeyMOASYLYYEZFCOE-UHFFFAOYSA-N
XLogP1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
CID 114748122
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone
CID 114747881
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
2-(azetidin-3-yl)-1-(2,3-dimethylphenyl)propan-1-one
CID 116680775
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 114747839
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylhexan-1-one
CID 115814156
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56738321
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(E)-1-(2,3-dihydro-1-benzofuran-7-yl)but-2-en-1-one
CID 103453398

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one (CID 114748121) is 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one is CC(C(=O)c1cccc2c1OCC2)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one?
The InChIKey is MOASYLYYEZFCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(11-7-15-8-11)13(16)12-4-2-3-10-5-6-17-14(10)12/h2-4,9,11,15H,5-8H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one?
2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one has a molecular weight of 231.29 g/mol, XLogP of 1.66, 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-dihydro-1-benzofuran-7-yl)propan-1-one is sourced from PubChem (CID 114748121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).