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

C16H17NO3 — CID 62025543

IUPAC1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
SMILESO=C(CN1CCCCCC1=O)c1cc2ccccc2o1
InChIInChI=1S/C16H17NO3/c18-13(11-17-9-5-1-2-8-16(17)19)15-10-12-6-3-4-7-14(12)20-15/h3-4,6-7,10H,1-2,5,8-9,11H2
InChIKeyQIEOGPDEYRTGPA-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.02
Rot. Bonds3

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

1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one (PubChem CID 62025543) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
PubChem CID62025543
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
SMILESO=C(CN1CCCCCC1=O)c1cc2ccccc2o1
InChIInChI=1S/C16H17NO3/c18-13(11-17-9-5-1-2-8-16(17)19)15-10-12-6-3-4-7-14(12)20-15/h3-4,6-7,10H,1-2,5,8-9,11H2
InChIKeyQIEOGPDEYRTGPA-UHFFFAOYSA-N
XLogP3.02
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
CID 62018083
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-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552
1-[2-(2-bromophenyl)-2-oxoethyl]azepan-2-one
CID 62023147
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223
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]azepan-2-one?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one (CID 62025543) is 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one is O=C(CN1CCCCCC1=O)c1cc2ccccc2o1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one?
The InChIKey is QIEOGPDEYRTGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-13(11-17-9-5-1-2-8-16(17)19)15-10-12-6-3-4-7-14(12)20-15/h3-4,6-7,10H,1-2,5,8-9,11H2.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one?
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one has a molecular weight of 271.32 g/mol, XLogP of 3.02, 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]azepan-2-one is sourced from PubChem (CID 62025543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).