1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one

C12H17N3O3 — CID 90637305

IUPAC1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2cncc(OC)n2)C1
InChIInChI=1S/C12H17N3O3/c1-3-12(16)15-5-4-9(8-15)18-11-7-13-6-10(14-11)17-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyZNERGONOEANWAE-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.87
Rot. Bonds4

About 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one

1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one (PubChem CID 90637305) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
PubChem CID90637305
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2cncc(OC)n2)C1
InChIInChI=1S/C12H17N3O3/c1-3-12(16)15-5-4-9(8-15)18-11-7-13-6-10(14-11)17-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyZNERGONOEANWAE-UHFFFAOYSA-N
XLogP0.87
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
2-benzylsulfanyl-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637393
3-[2-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 90637532
(5-bromo-3-pyridinyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627007
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90637390
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
(2-ethoxyphenyl)-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100613636
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
N-(2-ethoxyphenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637583

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one (CID 90637305) is 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Oc2cncc(OC)n2)C1.
What is the InChIKey of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one?
The InChIKey is ZNERGONOEANWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-12(16)15-5-4-9(8-15)18-11-7-13-6-10(14-11)17-2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one?
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one has a molecular weight of 251.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 90637305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).