2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one

C17H21N3O2 — CID 43059271

IUPAC2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C2CCCN2C(=O)C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-12-5-7-13(8-6-12)15-4-3-11-20(15)17(22)14-9-10-16(21)19(2)18-14/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyIRVKYNMMWWHHOA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.27
Rot. Bonds2

About 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 43059271) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID43059271
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccc(C2CCCN2C(=O)C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-12-5-7-13(8-6-12)15-4-3-11-20(15)17(22)14-9-10-16(21)19(2)18-14/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyIRVKYNMMWWHHOA-UHFFFAOYSA-N
XLogP2.27
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 33265057
6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 37041328
6-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94185221
6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 38607968
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
(2R,3R)-2-methyl-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 122116543
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 138380751
6-[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94635684
1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)azepane-2-carboxylic acid
CID 64559358
2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 5152065
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 43059271) is 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one is Cc1ccc(C2CCCN2C(=O)C2=NN(C)C(=O)CC2)cc1.
What is the InChIKey of 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is IRVKYNMMWWHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-5-7-13(8-6-12)15-4-3-11-20(15)17(22)14-9-10-16(21)19(2)18-14/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 299.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 43059271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).