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

C16H15NO2 — CID 66471641

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccc2c(c1)CCO2)c1ccncc1
InChIInChI=1S/C16H15NO2/c1-11(12-4-7-17-8-5-12)16(18)14-2-3-15-13(10-14)6-9-19-15/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyONPFZKHHXSJBCL-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.00
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one (PubChem CID 66471641) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
PubChem CID66471641
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccc2c(c1)CCO2)c1ccncc1
InChIInChI=1S/C16H15NO2/c1-11(12-4-7-17-8-5-12)16(18)14-2-3-15-13(10-14)6-9-19-15/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyONPFZKHHXSJBCL-UHFFFAOYSA-N
XLogP3.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66469631
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone
CID 103456024
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131932437
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
3-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-3-oxopropanoic acid
CID 116918231
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
4-(3,4-dihydro-2H-chromen-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500042
3-(azepan-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one;hydrochloride
CID 70496467

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one (CID 66471641) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one is CC(C(=O)c1ccc2c(c1)CCO2)c1ccncc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is ONPFZKHHXSJBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11(12-4-7-17-8-5-12)16(18)14-2-3-15-13(10-14)6-9-19-15/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 66471641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).