1-(1-benzofuran-5-yl)diazinan-3-one

C12H12N2O2 — CID 19911398

IUPAC1-(1-benzofuran-5-yl)diazinan-3-one
SMILESO=C1CCCN(c2ccc3occc3c2)N1
InChIInChI=1S/C12H12N2O2/c15-12-2-1-6-14(13-12)10-3-4-11-9(8-10)5-7-16-11/h3-5,7-8H,1-2,6H2,(H,13,15)
InChIKeyRWUXAQWURHKNIN-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.06
Rot. Bonds1

About 1-(1-benzofuran-5-yl)diazinan-3-one

1-(1-benzofuran-5-yl)diazinan-3-one (PubChem CID 19911398) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)diazinan-3-one.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)diazinan-3-one
PubChem CID19911398
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(1-benzofuran-5-yl)diazinan-3-one
SMILESO=C1CCCN(c2ccc3occc3c2)N1
InChIInChI=1S/C12H12N2O2/c15-12-2-1-6-14(13-12)10-3-4-11-9(8-10)5-7-16-11/h3-5,7-8H,1-2,6H2,(H,13,15)
InChIKeyRWUXAQWURHKNIN-UHFFFAOYSA-N
XLogP2.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)diazinan-3-one?
The IUPAC name of 1-(1-benzofuran-5-yl)diazinan-3-one (CID 19911398) is 1-(1-benzofuran-5-yl)diazinan-3-one.
What is the SMILES notation for 1-(1-benzofuran-5-yl)diazinan-3-one?
The canonical SMILES for 1-(1-benzofuran-5-yl)diazinan-3-one is O=C1CCCN(c2ccc3occc3c2)N1.
What is the InChIKey of 1-(1-benzofuran-5-yl)diazinan-3-one?
The InChIKey is RWUXAQWURHKNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12-2-1-6-14(13-12)10-3-4-11-9(8-10)5-7-16-11/h3-5,7-8H,1-2,6H2,(H,13,15).
What are the key properties of 1-(1-benzofuran-5-yl)diazinan-3-one?
1-(1-benzofuran-5-yl)diazinan-3-one has a molecular weight of 216.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)diazinan-3-one is sourced from PubChem (CID 19911398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).