2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one

C13H19N3O2 — CID 72924233

IUPAC2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13-8-11(15-5-1-2-6-15)9-14-16(13)10-12-4-3-7-18-12/h8-9,12H,1-7,10H2
InChIKeyRHQBATAGSZWPBV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.02
Rot. Bonds3

About 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72924233) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72924233
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC1CCCO1
InChIInChI=1S/C13H19N3O2/c17-13-8-11(15-5-1-2-6-15)9-14-16(13)10-12-4-3-7-18-12/h8-9,12H,1-7,10H2
InChIKeyRHQBATAGSZWPBV-UHFFFAOYSA-N
XLogP1.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 72924233) is 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is RHQBATAGSZWPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13-8-11(15-5-1-2-6-15)9-14-16(13)10-12-4-3-7-18-12/h8-9,12H,1-7,10H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72924233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).