2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one

C10H14N2O3 — CID 102735301

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n([C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C10H14N2O3/c1-15-9-5-6-10(14)12(11-9)7-3-2-4-8(7)13/h5-8,13H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyRNVCRBWMLACCRU-YUMQZZPRSA-N
MW210.23 g/mol
LogP0.34
Rot. Bonds2

About 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one (PubChem CID 102735301) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one
PubChem CID102735301
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n([C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C10H14N2O3/c1-15-9-5-6-10(14)12(11-9)7-3-2-4-8(7)13/h5-8,13H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyRNVCRBWMLACCRU-YUMQZZPRSA-N
XLogP0.34
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.34
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]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one (CID 102735301) is 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n([C@H]2CCC[C@@H]2O)n1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one?
The InChIKey is RNVCRBWMLACCRU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-9-5-6-10(14)12(11-9)7-3-2-4-8(7)13/h5-8,13H,2-4H2,1H3/t7-,8-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-6-methoxypyridazin-3-one has a molecular weight of 210.23 g/mol, XLogP of 0.34, 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]-6-methoxypyridazin-3-one is sourced from PubChem (CID 102735301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).