4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one

C17H17NO2 — CID 65444542

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one
SMILESO=C(CCc1ccc2c(c1)CCO2)Cc1ccccn1
InChIInChI=1S/C17H17NO2/c19-16(12-15-3-1-2-9-18-15)6-4-13-5-7-17-14(11-13)8-10-20-17/h1-3,5,7,9,11H,4,6,8,10,12H2
InChIKeyZFRDBLCAPUHMSR-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.76
Rot. Bonds5

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one

4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one (PubChem CID 65444542) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one
PubChem CID65444542
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one
SMILESO=C(CCc1ccc2c(c1)CCO2)Cc1ccccn1
InChIInChI=1S/C17H17NO2/c19-16(12-15-3-1-2-9-18-15)6-4-13-5-7-17-14(11-13)8-10-20-17/h1-3,5,7,9,11H,4,6,8,10,12H2
InChIKeyZFRDBLCAPUHMSR-UHFFFAOYSA-N
XLogP2.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
1-(3-chlorophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 65446055
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea
CID 119043715
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 124864179
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
CID 65446247
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86952310
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65447195
1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116590101
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 60863461

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one (CID 65444542) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one is O=C(CCc1ccc2c(c1)CCO2)Cc1ccccn1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one?
The InChIKey is ZFRDBLCAPUHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(12-15-3-1-2-9-18-15)6-4-13-5-7-17-14(11-13)8-10-20-17/h1-3,5,7,9,11H,4,6,8,10,12H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 65444542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).