1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one

C15H15N3O — CID 116973128

IUPAC1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one
SMILESCc1ccccc1-c1ccc(N2CCC(=O)C2)nn1
InChIInChI=1S/C15H15N3O/c1-11-4-2-3-5-13(11)14-6-7-15(17-16-14)18-9-8-12(19)10-18/h2-7H,8-10H2,1H3
InChIKeyNNOVYQFKBZRJCQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.23
Rot. Bonds2

About 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one

1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one (PubChem CID 116973128) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one
PubChem CID116973128
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one
SMILESCc1ccccc1-c1ccc(N2CCC(=O)C2)nn1
InChIInChI=1S/C15H15N3O/c1-11-4-2-3-5-13(11)14-6-7-15(17-16-14)18-9-8-12(19)10-18/h2-7H,8-10H2,1H3
InChIKeyNNOVYQFKBZRJCQ-UHFFFAOYSA-N
XLogP2.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one
CID 116973110
1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-amine
CID 56770727
1-(2-methylphenyl)pyrrolidin-3-one
CID 23052785
3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 121060100
3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine
CID 94858075
2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30363670
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
CID 131122931
8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline
CID 121060900
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one?
The IUPAC name of 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one (CID 116973128) is 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one.
What is the SMILES notation for 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one?
The canonical SMILES for 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one is Cc1ccccc1-c1ccc(N2CCC(=O)C2)nn1.
What is the InChIKey of 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one?
The InChIKey is NNOVYQFKBZRJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-4-2-3-5-13(11)14-6-7-15(17-16-14)18-9-8-12(19)10-18/h2-7H,8-10H2,1H3.
What are the key properties of 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one?
1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one has a molecular weight of 253.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-3-one is sourced from PubChem (CID 116973128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).