azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone

C13H13NO2 — CID 114736841

IUPACazetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)C3CNC3)cc2c1
InChIInChI=1S/C13H13NO2/c1-8-2-3-11-9(4-8)5-12(16-11)13(15)10-6-14-7-10/h2-5,10,14H,6-7H2,1H3
InChIKeyFMZWTDFPJXJOGV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.14
Rot. Bonds2

About azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone

azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114736841) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID114736841
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameazetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)C3CNC3)cc2c1
InChIInChI=1S/C13H13NO2/c1-8-2-3-11-9(4-8)5-12(16-11)13(15)10-6-14-7-10/h2-5,10,14H,6-7H2,1H3
InChIKeyFMZWTDFPJXJOGV-UHFFFAOYSA-N
XLogP2.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105105126
[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114737007
(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725432
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120946334
(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725716
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
1,4-dithian-2-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725755
[2-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736859
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
1-(5-methyl-1-benzofuran-2-yl)-2-piperidin-4-yloxyethanone
CID 114736583
N-cyclobutyl-N-(2-hydroxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 102684442

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone (CID 114736841) is azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)C3CNC3)cc2c1.
What is the InChIKey of azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is FMZWTDFPJXJOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-2-3-11-9(4-8)5-12(16-11)13(15)10-6-14-7-10/h2-5,10,14H,6-7H2,1H3.
What are the key properties of azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone?
azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 215.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114736841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).