1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone

C11H14ClN3O2 — CID 125021297

IUPAC1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@H]1c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-17-7-11(16)15-4-2-3-9(15)8-5-13-6-10(12)14-8/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyYISLRMZRLUSTKM-SECBINFHSA-N
MW255.70 g/mol
LogP1.44
Rot. Bonds3

About 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone

1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 125021297) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID125021297
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@H]1c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-17-7-11(16)15-4-2-3-9(15)8-5-13-6-10(12)14-8/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyYISLRMZRLUSTKM-SECBINFHSA-N
XLogP1.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone
CID 125021298
1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
CID 95804809
1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110265611
3-[6-[1-(2-methoxyacetyl)pyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 110120276
1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 125000897
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110096335
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
1-[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95818099
2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone
CID 124514038
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone (CID 125021297) is 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@@H]1c1cncc(Cl)n1.
What is the InChIKey of 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is YISLRMZRLUSTKM-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-17-7-11(16)15-4-2-3-9(15)8-5-13-6-10(12)14-8/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone?
1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 255.70 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6-chloropyrazin-2-yl)pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 125021297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).