4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one

C12H10N2O2 — CID 106522385

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one
SMILESO=c1cc(-c2cccc3c2OCC3)cn[nH]1
InChIInChI=1S/C12H10N2O2/c15-11-6-9(7-13-14-11)10-3-1-2-8-4-5-16-12(8)10/h1-3,6-7H,4-5H2,(H,14,15)
InChIKeyNDMCQOCQSAUPRH-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.37
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one

4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one (PubChem CID 106522385) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one
PubChem CID106522385
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one
SMILESO=c1cc(-c2cccc3c2OCC3)cn[nH]1
InChIInChI=1S/C12H10N2O2/c15-11-6-9(7-13-14-11)10-3-1-2-8-4-5-16-12(8)10/h1-3,6-7H,4-5H2,(H,14,15)
InChIKeyNDMCQOCQSAUPRH-UHFFFAOYSA-N
XLogP1.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one (CID 106522385) is 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one is O=c1cc(-c2cccc3c2OCC3)cn[nH]1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one?
The InChIKey is NDMCQOCQSAUPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-11-6-9(7-13-14-11)10-3-1-2-8-4-5-16-12(8)10/h1-3,6-7H,4-5H2,(H,14,15).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one?
4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one has a molecular weight of 214.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 106522385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).