2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one

C13H14N2O — CID 3052620

IUPAC2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
SMILESCCN1N=C2c3ccccc3CC2CC1=O
InChIInChI=1S/C13H14N2O/c1-2-15-12(16)8-10-7-9-5-3-4-6-11(9)13(10)14-15/h3-6,10H,2,7-8H2,1H3
InChIKeyUNFQINHNXMYESU-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.82
Rot. Bonds1

About 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one

2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one (PubChem CID 3052620) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
PubChem CID3052620
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
SMILESCCN1N=C2c3ccccc3CC2CC1=O
InChIInChI=1S/C13H14N2O/c1-2-15-12(16)8-10-7-9-5-3-4-6-11(9)13(10)14-15/h3-6,10H,2,7-8H2,1H3
InChIKeyUNFQINHNXMYESU-UHFFFAOYSA-N
XLogP1.82
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-2-methyl-
CID 3052619
1-Cyclohexyl-4-(4-methylbenzyl)-3-(p-tolyl)-1H-pyrazol-5(4H)-one
CID 164615011
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
CID 142562
2H,3H,4H,4aH,5H-indeno[1,2-c]pyridazin-3-one
CID 3052616
4-Benzyl-1-cyclohexyl-3-phenyl-1H-pyrazol-5(4H)-one
CID 164611118
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(1,2,5-trimethyl-4-piperidinyl)-
CID 3025439
2-Butyl-2,3,4,4a-tetrahydro-5H-indeno(1,2-c)pyridazin-3-one
CID 3052621
3H-Indeno(2,1-c)pyridazin-3-one, 2,4,4a,9-tetrahydro-
CID 3063371
1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one
CID 4171284
4-benzyl-2-methyl-5-phenyl-4H-pyrazol-3-one
CID 164626818
3-(5-oxo-3-phenyl-4H-pyrazol-1-yl)propanenitrile
CID 8891571

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one?
The IUPAC name of 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one (CID 3052620) is 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one?
The canonical SMILES for 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one is CCN1N=C2c3ccccc3CC2CC1=O.
What is the InChIKey of 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one?
The InChIKey is UNFQINHNXMYESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-15-12(16)8-10-7-9-5-3-4-6-11(9)13(10)14-15/h3-6,10H,2,7-8H2,1H3.
What are the key properties of 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one?
2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one has a molecular weight of 214.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one is sourced from PubChem (CID 3052620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).