1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone

C14H10N2O2 — CID 116832768

IUPAC1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)c1coc2ccccc12
InChIInChI=1S/C14H10N2O2/c17-13(7-10-8-15-5-6-16-10)12-9-18-14-4-2-1-3-11(12)14/h1-6,8-9H,7H2
InChIKeyAOISREUONDUHQN-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.65
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone

1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone (PubChem CID 116832768) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone
PubChem CID116832768
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone
SMILESO=C(Cc1cnccn1)c1coc2ccccc12
InChIInChI=1S/C14H10N2O2/c17-13(7-10-8-15-5-6-16-10)12-9-18-14-4-2-1-3-11(12)14/h1-6,8-9H,7H2
InChIKeyAOISREUONDUHQN-UHFFFAOYSA-N
XLogP2.65
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone (CID 116832768) is 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone is O=C(Cc1cnccn1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone?
The InChIKey is AOISREUONDUHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13(7-10-8-15-5-6-16-10)12-9-18-14-4-2-1-3-11(12)14/h1-6,8-9H,7H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone?
1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone has a molecular weight of 238.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-pyrazin-2-ylethanone is sourced from PubChem (CID 116832768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).