2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one

C15H23N3O2 — CID 114397054

IUPAC2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC(O)C1CCCC1
InChIInChI=1S/C15H23N3O2/c19-14(12-5-1-2-6-12)11-18-15(20)9-13(10-16-18)17-7-3-4-8-17/h9-10,12,14,19H,1-8,11H2
InChIKeyMDJQLPIYGBEKHO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.39
Rot. Bonds4

About 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114397054) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114397054
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC(O)C1CCCC1
InChIInChI=1S/C15H23N3O2/c19-14(12-5-1-2-6-12)11-18-15(20)9-13(10-16-18)17-7-3-4-8-17/h9-10,12,14,19H,1-8,11H2
InChIKeyMDJQLPIYGBEKHO-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 114397054) is 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1CC(O)C1CCCC1.
What is the InChIKey of 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is MDJQLPIYGBEKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14(12-5-1-2-6-12)11-18-15(20)9-13(10-16-18)17-7-3-4-8-17/h9-10,12,14,19H,1-8,11H2.
What are the key properties of 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).