2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one

C13H19N3O2 — CID 102735281

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H19N3O2/c17-12-5-3-4-11(12)16-13(18)8-10(9-14-16)15-6-1-2-7-15/h8-9,11-12,17H,1-7H2/t11-,12-/m0/s1
InChIKeyLUDZPODKVBPILB-RYUDHWBXSA-N
MW249.31 g/mol
LogP0.93
Rot. Bonds2

About 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 102735281) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID102735281
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C13H19N3O2/c17-12-5-3-4-11(12)16-13(18)8-10(9-14-16)15-6-1-2-7-15/h8-9,11-12,17H,1-7H2/t11-,12-/m0/s1
InChIKeyLUDZPODKVBPILB-RYUDHWBXSA-N
XLogP0.93
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 102735281) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=c1cc(N2CCCC2)cnn1[C@H]1CCC[C@@H]1O.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is LUDZPODKVBPILB-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-5-3-4-11(12)16-13(18)8-10(9-14-16)15-6-1-2-7-15/h8-9,11-12,17H,1-7H2/t11-,12-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 102735281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).