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

C13H19N3O3 — CID 90637306

IUPAC1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cncc(OC2CCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C13H19N3O3/c1-9(2)13(17)16-5-4-10(8-16)19-12-7-14-6-11(15-12)18-3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyBXAOPQBDTGCGMH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.12
Rot. Bonds4

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

1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 90637306) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID90637306
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cncc(OC2CCN(C(=O)C(C)C)C2)n1
InChIInChI=1S/C13H19N3O3/c1-9(2)13(17)16-5-4-10(8-16)19-12-7-14-6-11(15-12)18-3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyBXAOPQBDTGCGMH-UHFFFAOYSA-N
XLogP1.12
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496
(5-bromo-3-pyridinyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627007
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
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
3-[2-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 90637532
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90637267
(4-ethoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637338
2-benzylsulfanyl-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637393
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 90637365

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one (CID 90637306) is 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one is COc1cncc(OC2CCN(C(=O)C(C)C)C2)n1.
What is the InChIKey of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is BXAOPQBDTGCGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)13(17)16-5-4-10(8-16)19-12-7-14-6-11(15-12)18-3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one?
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 265.31 g/mol, XLogP of 1.12, 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]-2-methylpropan-1-one is sourced from PubChem (CID 90637306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).