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

C15H13NO2 — CID 63743858

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H13NO2/c17-15(8-14-3-1-2-6-16-14)11-4-5-12-9-18-10-13(12)7-11/h1-7H,8-10H2
InChIKeyPGCFMJIAUFSAIS-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.54
Rot. Bonds3

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

1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone (PubChem CID 63743858) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
PubChem CID63743858
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H13NO2/c17-15(8-14-3-1-2-6-16-14)11-4-5-12-9-18-10-13(12)7-11/h1-7H,8-10H2
InChIKeyPGCFMJIAUFSAIS-UHFFFAOYSA-N
XLogP2.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
CID 114974112
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 63020393
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
2-pyridin-2-yl-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 10611815
1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
CID 116597491
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanamine
CID 63744022
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024345

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone (CID 63743858) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone?
The InChIKey is PGCFMJIAUFSAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(8-14-3-1-2-6-16-14)11-4-5-12-9-18-10-13(12)7-11/h1-7H,8-10H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone has a molecular weight of 239.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 63743858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).