6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

C18H21N3O2 — CID 7666228

IUPAC6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)cc1C
InChIInChI=1S/C18H21N3O2/c1-13-5-6-15(11-14(13)2)16-7-8-17(22)21(19-16)12-18(23)20-9-3-4-10-20/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyDQXHGONEPFWWKD-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.15
Rot. Bonds3

About 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (PubChem CID 7666228) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
PubChem CID7666228
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)cc1C
InChIInChI=1S/C18H21N3O2/c1-13-5-6-15(11-14(13)2)16-7-8-17(22)21(19-16)12-18(23)20-9-3-4-10-20/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyDQXHGONEPFWWKD-UHFFFAOYSA-N
XLogP2.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (CID 7666228) is 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The InChIKey is DQXHGONEPFWWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-6-15(11-14(13)2)16-7-8-17(22)21(19-16)12-18(23)20-9-3-4-10-20/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one has a molecular weight of 311.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7666228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).