1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone

C11H15N3O2 — CID 97165756

IUPAC1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCNC1)c1cnccn1
InChIInChI=1S/C11H15N3O2/c15-11(10-6-13-3-4-14-10)8-16-7-9-1-2-12-5-9/h3-4,6,9,12H,1-2,5,7-8H2/t9-/m0/s1
InChIKeyHJIRVPJQLLMJOR-VIFPVBQESA-N
MW221.26 g/mol
LogP0.29
Rot. Bonds5

About 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone

1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone (PubChem CID 97165756) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone
PubChem CID97165756
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCNC1)c1cnccn1
InChIInChI=1S/C11H15N3O2/c15-11(10-6-13-3-4-14-10)8-16-7-9-1-2-12-5-9/h3-4,6,9,12H,1-2,5,7-8H2/t9-/m0/s1
InChIKeyHJIRVPJQLLMJOR-VIFPVBQESA-N
XLogP0.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazin-2-yl-2-[(3R)-pyrrolidin-3-yl]oxyethanone;hydrochloride
CID 71645143
1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
CID 71645191
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
CID 71641602
tert-butyl (3S)-3-[(2-oxo-2-pyrazin-2-ylethoxy)methyl]pyrrolidine-1-carboxylate
CID 97171365
tert-butyl (3R)-3-[(2-oxo-2-pyrazin-2-ylethoxy)methyl]pyrrolidine-1-carboxylate
CID 97171366
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
CID 71645242
2-(cyclopropylmethoxy)-N-pyrazin-2-ylacetamide
CID 86794489
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone?
The IUPAC name of 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone (CID 97165756) is 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone.
What is the SMILES notation for 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone?
The canonical SMILES for 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone is O=C(COC[C@H]1CCNC1)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone?
The InChIKey is HJIRVPJQLLMJOR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(10-6-13-3-4-14-10)8-16-7-9-1-2-12-5-9/h3-4,6,9,12H,1-2,5,7-8H2/t9-/m0/s1.
What are the key properties of 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone?
1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone has a molecular weight of 221.26 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone is sourced from PubChem (CID 97165756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).