2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one

C16H16N2O3 — CID 105061893

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H16N2O3/c1-21-15-7-8-16(20)18(17-15)10-14(19)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4,10H2,1H3
InChIKeyTWTPNWCADFCNHV-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one

2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one (PubChem CID 105061893) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
PubChem CID105061893
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H16N2O3/c1-21-15-7-8-16(20)18(17-15)10-14(19)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4,10H2,1H3
InChIKeyTWTPNWCADFCNHV-UHFFFAOYSA-N
XLogP1.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061918
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 61238347
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 91962402
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505612
methyl 2-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]tetrazol-5-yl]acetate
CID 51103399
1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone
CID 62140198
2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922670
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312250
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone
CID 55261503
N-(4-aminophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061449

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one (CID 105061893) is 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(=O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The InChIKey is TWTPNWCADFCNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-15-7-8-16(20)18(17-15)10-14(19)13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4,10H2,1H3.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one?
2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one has a molecular weight of 284.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).