1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one

C17H19NO3 — CID 62018083

IUPAC1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
SMILESO=C(CN1CCCCCCC1=O)c1cc2ccccc2o1
InChIInChI=1S/C17H19NO3/c19-14(12-18-10-6-2-1-3-9-17(18)20)16-11-13-7-4-5-8-15(13)21-16/h4-5,7-8,11H,1-3,6,9-10,12H2
InChIKeyAXDZOGMQQYPGDT-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.41
Rot. Bonds3

About 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one

1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one (PubChem CID 62018083) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
PubChem CID62018083
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
SMILESO=C(CN1CCCCCCC1=O)c1cc2ccccc2o1
InChIInChI=1S/C17H19NO3/c19-14(12-18-10-6-2-1-3-9-17(18)20)16-11-13-7-4-5-8-15(13)21-16/h4-5,7-8,11H,1-3,6,9-10,12H2
InChIKeyAXDZOGMQQYPGDT-UHFFFAOYSA-N
XLogP3.41
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
CID 62025543
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60624376
1-[2-(2-chlorophenyl)-2-oxoethyl]azepan-2-one
CID 62024083
1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973085
1-[2-(3-hydroxyphenyl)-2-oxoethyl]piperidin-2-one
CID 105492599
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223
1-[2-(2-bromophenyl)-2-oxoethyl]azepan-2-one
CID 62023147
1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
1-(1-benzofuran-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024611
1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43797305
1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one (CID 62018083) is 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one is O=C(CN1CCCCCCC1=O)c1cc2ccccc2o1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one?
The InChIKey is AXDZOGMQQYPGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-14(12-18-10-6-2-1-3-9-17(18)20)16-11-13-7-4-5-8-15(13)21-16/h4-5,7-8,11H,1-3,6,9-10,12H2.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one?
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one has a molecular weight of 285.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one is sourced from PubChem (CID 62018083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).