3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one

C12H16ClN3O3 — CID 90639063

IUPAC3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)CCCl)C2)nn1
InChIInChI=1S/C12H16ClN3O3/c1-18-10-2-3-11(15-14-10)19-9-5-7-16(8-9)12(17)4-6-13/h2-3,9H,4-8H2,1H3
InChIKeyYYVWDBRDWVKAAJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.09
Rot. Bonds5

About 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one

3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one (PubChem CID 90639063) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
PubChem CID90639063
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)CCCl)C2)nn1
InChIInChI=1S/C12H16ClN3O3/c1-18-10-2-3-11(15-14-10)19-9-5-7-16(8-9)12(17)4-6-13/h2-3,9H,4-8H2,1H3
InChIKeyYYVWDBRDWVKAAJ-UHFFFAOYSA-N
XLogP1.09
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639054
3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
CID 110208246
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 90639066
2-(4-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639141
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 91627457
2-(2-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627502
2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639191
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 90639254
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one (CID 90639063) is 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one is COc1ccc(OC2CCN(C(=O)CCCl)C2)nn1.
What is the InChIKey of 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one?
The InChIKey is YYVWDBRDWVKAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-18-10-2-3-11(15-14-10)19-9-5-7-16(8-9)12(17)4-6-13/h2-3,9H,4-8H2,1H3.
What are the key properties of 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one?
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one has a molecular weight of 285.73 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 90639063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).