1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone

C13H10N2O2 — CID 114973067

IUPAC1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1cnccn1
InChIInChI=1S/C13H10N2O2/c16-13(12-6-14-3-4-15-12)9-1-2-10-7-17-8-11(10)5-9/h1-6H,7-8H2
InChIKeyULISJGSJYUOCLK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.74
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone

1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone (PubChem CID 114973067) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone
PubChem CID114973067
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1cnccn1
InChIInChI=1S/C13H10N2O2/c16-13(12-6-14-3-4-15-12)9-1-2-10-7-17-8-11(10)5-9/h1-6H,7-8H2
InChIKeyULISJGSJYUOCLK-UHFFFAOYSA-N
XLogP1.74
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
CID 116547270
(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone
CID 103214115
1,3-dihydro-2-benzofuran-5-yl(quinolin-8-yl)methanone
CID 115608476
[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone
CID 116548267
1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
CID 114972403
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66469631
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone (CID 114973067) is 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone is O=C(c1ccc2c(c1)COC2)c1cnccn1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone?
The InChIKey is ULISJGSJYUOCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(12-6-14-3-4-15-12)9-1-2-10-7-17-8-11(10)5-9/h1-6H,7-8H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone?
1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone has a molecular weight of 226.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone is sourced from PubChem (CID 114973067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).