cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C15H19N3O2 — CID 91626673

IUPACcyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H19N3O2/c19-15(12-4-2-1-3-5-12)18-9-6-13(11-18)20-14-10-16-7-8-17-14/h1-2,7-8,10,12-13H,3-6,9,11H2
InChIKeyAXJMBBFJUSJXOP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds3

About cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 91626673) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID91626673
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namecyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H19N3O2/c19-15(12-4-2-1-3-5-12)18-9-6-13(11-18)20-14-10-16-7-8-17-14/h1-2,7-8,10,12-13H,3-6,9,11H2
InChIKeyAXJMBBFJUSJXOP-UHFFFAOYSA-N
XLogP1.81
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757116
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757122
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636070
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
cyclohex-3-en-1-yl-(4-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 90559367
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 100642537

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 91626673) is cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is O=C(C1CC=CCC1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is AXJMBBFJUSJXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(12-4-2-1-3-5-12)18-9-6-13(11-18)20-14-10-16-7-8-17-14/h1-2,7-8,10,12-13H,3-6,9,11H2.
What are the key properties of cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 91626673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).