5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one

C15H23N3O3 — CID 106801882

IUPAC5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C15H23N3O3/c1-3-13(19)5-4-7-18-15(20)9-12(10-16-18)17-8-6-14(11-17)21-2/h9-10,14H,3-8,11H2,1-2H3
InChIKeyVFEGDISCWSBLDS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.23
Rot. Bonds7

About 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one

5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one (PubChem CID 106801882) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one
PubChem CID106801882
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one
SMILESCCC(=O)CCCn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C15H23N3O3/c1-3-13(19)5-4-7-18-15(20)9-12(10-16-18)17-8-6-14(11-17)21-2/h9-10,14H,3-8,11H2,1-2H3
InChIKeyVFEGDISCWSBLDS-UHFFFAOYSA-N
XLogP1.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one?
The IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one (CID 106801882) is 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one?
The canonical SMILES for 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one is CCC(=O)CCCn1ncc(N2CCC(OC)C2)cc1=O.
What is the InChIKey of 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one?
The InChIKey is VFEGDISCWSBLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-13(19)5-4-7-18-15(20)9-12(10-16-18)17-8-6-14(11-17)21-2/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one?
5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one has a molecular weight of 293.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrrolidin-1-yl)-2-(4-oxohexyl)pyridazin-3-one is sourced from PubChem (CID 106801882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).