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

C15H18N2O — CID 3052621

IUPAC2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
SMILESCCCCN1N=C2c3ccccc3CC2CC1=O
InChIInChI=1S/C15H18N2O/c1-2-3-8-17-14(18)10-12-9-11-6-4-5-7-13(11)15(12)16-17/h4-7,12H,2-3,8-10H2,1H3
InChIKeyAFRFUYUYVOUXCG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.60
Rot. Bonds3

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

2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one (PubChem CID 3052621) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
PubChem CID3052621
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
SMILESCCCCN1N=C2c3ccccc3CC2CC1=O
InChIInChI=1S/C15H18N2O/c1-2-3-8-17-14(18)10-12-9-11-6-4-5-7-13(11)15(12)16-17/h4-7,12H,2-3,8-10H2,1H3
InChIKeyAFRFUYUYVOUXCG-UHFFFAOYSA-N
XLogP2.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.60
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
2-phenyl-1-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 686393
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(1,2,5-trimethyl-4-piperidinyl)-
CID 3025439
3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(1,2,5-trimethyl-4-piperidinyl)-
CID 3025440
2-Ethyl-2,3,4,4a-tetrahydro-5H-indeno(1,2-c)pyridin-3-one
CID 3052620
1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one
CID 4171284
1-(4-Benzyl-5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 71458352

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one?
The IUPAC name of 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one (CID 3052621) is 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one?
The canonical SMILES for 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one is CCCCN1N=C2c3ccccc3CC2CC1=O.
What is the InChIKey of 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one?
The InChIKey is AFRFUYUYVOUXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-8-17-14(18)10-12-9-11-6-4-5-7-13(11)15(12)16-17/h4-7,12H,2-3,8-10H2,1H3.
What are the key properties of 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one?
2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one has a molecular weight of 242.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one is sourced from PubChem (CID 3052621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).