[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone

C14H19N3O3 — CID 100628592

IUPAC[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1
InChIInChI=1S/C14H19N3O3/c1-10-2-3-13(16-15-10)20-12-4-6-17(8-12)14(18)11-5-7-19-9-11/h2-3,11-12H,4-9H2,1H3/t11-,12-/m1/s1
InChIKeyQUTNWKFGKOESER-VXGBXAGGSA-N
MW277.32 g/mol
LogP0.80
Rot. Bonds3

About [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone

[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 100628592) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID100628592
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1
InChIInChI=1S/C14H19N3O3/c1-10-2-3-13(16-15-10)20-12-4-6-17(8-12)14(18)11-5-7-19-9-11/h2-3,11-12H,4-9H2,1H3/t11-,12-/m1/s1
InChIKeyQUTNWKFGKOESER-VXGBXAGGSA-N
XLogP0.80
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 100628592) is [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone is Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1.
What is the InChIKey of [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is QUTNWKFGKOESER-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-2-3-13(16-15-10)20-12-4-6-17(8-12)14(18)11-5-7-19-9-11/h2-3,11-12H,4-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 277.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 100628592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).