2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

C14H15NO2 — CID 114736814

IUPAC2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)CC3CNC3)oc12
InChIInChI=1S/C14H15NO2/c1-9-3-2-4-11-6-13(17-14(9)11)12(16)5-10-7-15-8-10/h2-4,6,10,15H,5,7-8H2,1H3
InChIKeyFVHWYCLFUNJHIM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.53
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 114736814) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
PubChem CID114736814
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)CC3CNC3)oc12
InChIInChI=1S/C14H15NO2/c1-9-3-2-4-11-6-13(17-14(9)11)12(16)5-10-7-15-8-10/h2-4,6,10,15H,5,7-8H2,1H3
InChIKeyFVHWYCLFUNJHIM-UHFFFAOYSA-N
XLogP2.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
1-(7-fluoro-1-benzofuran-2-yl)-2-morpholin-2-ylethanone
CID 114736887
N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide
CID 100795337
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (CID 114736814) is 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is Cc1cccc2cc(C(=O)CC3CNC3)oc12.
What is the InChIKey of 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is FVHWYCLFUNJHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-3-2-4-11-6-13(17-14(9)11)12(16)5-10-7-15-8-10/h2-4,6,10,15H,5,7-8H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.53, 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-(7-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114736814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).