1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one

C14H19N3O2 — CID 90638608

IUPAC1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(Oc2ccc(C)nn2)C1
InChIInChI=1S/C14H19N3O2/c1-3-4-5-14(18)17-9-8-12(10-17)19-13-7-6-11(2)15-16-13/h3,6-7,12H,1,4-5,8-10H2,2H3
InChIKeyKIYVRCIBEXUJOH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds5

About 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one

1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one (PubChem CID 90638608) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
PubChem CID90638608
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(Oc2ccc(C)nn2)C1
InChIInChI=1S/C14H19N3O2/c1-3-4-5-14(18)17-9-8-12(10-17)19-13-7-6-11(2)15-16-13/h3,6-7,12H,1,4-5,8-10H2,2H3
InChIKeyKIYVRCIBEXUJOH-UHFFFAOYSA-N
XLogP1.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
3-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]propan-1-one
CID 110208246
1-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 100627527
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
N-(2-chloroethyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638896
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639054
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638662
[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 100628592
(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100627189

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one (CID 90638608) is 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCC(Oc2ccc(C)nn2)C1.
What is the InChIKey of 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one?
The InChIKey is KIYVRCIBEXUJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-5-14(18)17-9-8-12(10-17)19-13-7-6-11(2)15-16-13/h3,6-7,12H,1,4-5,8-10H2,2H3.
What are the key properties of 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one?
1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one has a molecular weight of 261.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one is sourced from PubChem (CID 90638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).