3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one

C13H14N2O — CID 1481825

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc3c(c2)CCC3)=NN1
InChIInChI=1S/C13H14N2O/c16-13-7-6-12(14-15-13)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyJRQQEWWQIYWXNI-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.79
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one

3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 1481825) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID1481825
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc3c(c2)CCC3)=NN1
InChIInChI=1S/C13H14N2O/c16-13-7-6-12(14-15-13)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyJRQQEWWQIYWXNI-UHFFFAOYSA-N
XLogP1.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
3-Phenyl-5-pyrazolone
CID 78577
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-[(1E)-1-(3,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 5334232
N'-[1-(2,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 9563317
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-
CID 369353
Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-
CID 3078592
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-, (+-)-
CID 3078594
6-(4-isopropylstyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1471687
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2,4-dimethylbenzamide
CID 9568913
trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73346356

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 1481825) is 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc3c(c2)CCC3)=NN1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JRQQEWWQIYWXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-7-6-12(14-15-13)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,15,16).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 214.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 1481825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).