2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone

C18H21NO2 — CID 65320067

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone
SMILESO=C(CN1CCCC2CCCC21)c1coc2ccccc12
InChIInChI=1S/C18H21NO2/c20-17(15-12-21-18-9-2-1-7-14(15)18)11-19-10-4-6-13-5-3-8-16(13)19/h1-2,7,9,12-13,16H,3-6,8,10-11H2
InChIKeyVUHSJRRYXNKGMX-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.88
Rot. Bonds3

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone (PubChem CID 65320067) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone
PubChem CID65320067
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone
SMILESO=C(CN1CCCC2CCCC21)c1coc2ccccc12
InChIInChI=1S/C18H21NO2/c20-17(15-12-21-18-9-2-1-7-14(15)18)11-19-10-4-6-13-5-3-8-16(13)19/h1-2,7,9,12-13,16H,3-6,8,10-11H2
InChIKeyVUHSJRRYXNKGMX-UHFFFAOYSA-N
XLogP3.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone with MolForge

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Related Compounds

1-(1-benzofuran-3-yl)-2-(4-methylazepan-1-yl)ethanone
CID 63623178
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587755
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]azepane-2,7-dione
CID 62024167
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
1-(1-benzofuran-3-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025341
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64596560
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-thiophen-2-ylethanone
CID 43228899
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 65319975
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62024555
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone (CID 65320067) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone is O=C(CN1CCCC2CCCC21)c1coc2ccccc12.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone?
The InChIKey is VUHSJRRYXNKGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17(15-12-21-18-9-2-1-7-14(15)18)11-19-10-4-6-13-5-3-8-16(13)19/h1-2,7,9,12-13,16H,3-6,8,10-11H2.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 65320067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).