2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one

C19H23N3O4 — CID 20968259

IUPAC2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(CN1N=C(c2ccccc2)CCC1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H23N3O4/c23-17-7-6-16(15-4-2-1-3-5-15)20-22(17)14-18(24)21-10-8-19(9-11-21)25-12-13-26-19/h1-5H,6-14H2
InChIKeyIGMZAVRNJFDTBS-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.38
Rot. Bonds3

About 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 20968259) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID20968259
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(CN1N=C(c2ccccc2)CCC1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H23N3O4/c23-17-7-6-16(15-4-2-1-3-5-15)20-22(17)14-18(24)21-10-8-19(9-11-21)25-12-13-26-19/h1-5H,6-14H2
InChIKeyIGMZAVRNJFDTBS-UHFFFAOYSA-N
XLogP1.38
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 20968259) is 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one is O=C(CN1N=C(c2ccccc2)CCC1=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is IGMZAVRNJFDTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17-7-6-16(15-4-2-1-3-5-15)20-22(17)14-18(24)21-10-8-19(9-11-21)25-12-13-26-19/h1-5H,6-14H2.
What are the key properties of 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 357.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 20968259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).