azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone

C15H17NO2 — CID 176932569

IUPACazetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone
SMILESCC(C)c1ccc2oc(C(=O)N3CCC3)cc2c1
InChIInChI=1S/C15H17NO2/c1-10(2)11-4-5-13-12(8-11)9-14(18-13)15(17)16-6-3-7-16/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyKKWJLXDVUJLBGZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.40
Rot. Bonds2

About azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone

azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone (PubChem CID 176932569) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone
PubChem CID176932569
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameazetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone
SMILESCC(C)c1ccc2oc(C(=O)N3CCC3)cc2c1
InChIInChI=1S/C15H17NO2/c1-10(2)11-4-5-13-12(8-11)9-14(18-13)15(17)16-6-3-7-16/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyKKWJLXDVUJLBGZ-UHFFFAOYSA-N
XLogP3.40
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-(5-propan-2-yl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 130281541
5-propan-2-yl-N-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 118262819
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
azetidin-1-yl-(4-fluoro-5-propan-2-yl-1-benzofuran-2-yl)methanone
CID 176932104
(5-amino-1-benzofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283899
(5-amino-1-benzofuran-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403394
[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
4-(5-amino-1-benzofuran-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888084
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 107406227
(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929955

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone (CID 176932569) is azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone is CC(C)c1ccc2oc(C(=O)N3CCC3)cc2c1.
What is the InChIKey of azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone?
The InChIKey is KKWJLXDVUJLBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(2)11-4-5-13-12(8-11)9-14(18-13)15(17)16-6-3-7-16/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone?
azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 176932569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).