1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone

C10H12BrN3O2 — CID 167351126

IUPAC1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cnc(Br)cn2)C1
InChIInChI=1S/C10H12BrN3O2/c1-7(15)14-3-2-8(6-14)16-10-5-12-9(11)4-13-10/h4-5,8H,2-3,6H2,1H3
InChIKeySPYRSZPAZKRELT-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.24
Rot. Bonds2

About 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone

1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 167351126) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID167351126
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cnc(Br)cn2)C1
InChIInChI=1S/C10H12BrN3O2/c1-7(15)14-3-2-8(6-14)16-10-5-12-9(11)4-13-10/h4-5,8H,2-3,6H2,1H3
InChIKeySPYRSZPAZKRELT-UHFFFAOYSA-N
XLogP1.24
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine
CID 89388695
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 167350868
methyl 2-[(3S)-3-[(5-bromo-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]benzoate
CID 129417220
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone (CID 167351126) is 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Oc2cnc(Br)cn2)C1.
What is the InChIKey of 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is SPYRSZPAZKRELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-7(15)14-3-2-8(6-14)16-10-5-12-9(11)4-13-10/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 286.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 167351126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).