2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one

C15H12N2O3 — CID 106548832

IUPAC2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(=O)c2cc3ccccc3o2)c(=O)c1
InChIInChI=1S/C15H12N2O3/c1-10-6-15(19)17(16-8-10)9-12(18)14-7-11-4-2-3-5-13(11)20-14/h2-8H,9H2,1H3
InChIKeyFDNDFJQGFPRCFL-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.18
Rot. Bonds3

About 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one

2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one (PubChem CID 106548832) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one
PubChem CID106548832
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(=O)c2cc3ccccc3o2)c(=O)c1
InChIInChI=1S/C15H12N2O3/c1-10-6-15(19)17(16-8-10)9-12(18)14-7-11-4-2-3-5-13(11)20-14/h2-8H,9H2,1H3
InChIKeyFDNDFJQGFPRCFL-UHFFFAOYSA-N
XLogP2.18
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223
1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797958
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548770
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-bromopyrimidin-4-one
CID 66309127
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
CID 61243446
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
CID 62025543
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
CID 62018083
3-[(4-methyl-6-oxopyridazin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 106548427
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one (CID 106548832) is 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one is Cc1cnn(CC(=O)c2cc3ccccc3o2)c(=O)c1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
The InChIKey is FDNDFJQGFPRCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-6-15(19)17(16-8-10)9-12(18)14-7-11-4-2-3-5-13(11)20-14/h2-8H,9H2,1H3.
What are the key properties of 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one?
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one has a molecular weight of 268.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).