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

C16H15NO2 — CID 65446245

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccc2c(c1)CCO2)c1ccccn1
InChIInChI=1S/C16H15NO2/c18-15(14-3-1-2-9-17-14)6-4-12-5-7-16-13(11-12)8-10-19-16/h1-3,5,7,9,11H,4,6,8,10H2
InChIKeyWSKAHLPYWARNIB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.83
Rot. Bonds4

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

3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one (PubChem CID 65446245) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
PubChem CID65446245
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccc2c(c1)CCO2)c1ccccn1
InChIInChI=1S/C16H15NO2/c18-15(14-3-1-2-9-17-14)6-4-12-5-7-16-13(11-12)8-10-19-16/h1-3,5,7,9,11H,4,6,8,10H2
InChIKeyWSKAHLPYWARNIB-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one
CID 65444542
1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65447195
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 131945300
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
CID 65441462
3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185238
1-[5-(aminomethyl)furan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116590101
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
CID 105103302

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one (CID 65446245) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one is O=C(CCc1ccc2c(c1)CCO2)c1ccccn1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one?
The InChIKey is WSKAHLPYWARNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15(14-3-1-2-9-17-14)6-4-12-5-7-16-13(11-12)8-10-19-16/h1-3,5,7,9,11H,4,6,8,10H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 65446245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).