[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

C16H21N3O3 — CID 100757122

IUPAC[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1
InChIInChI=1S/C16H21N3O3/c1-21-14-15(18-9-8-17-14)22-13-7-10-19(11-13)16(20)12-5-3-2-4-6-12/h2-3,8-9,12-13H,4-7,10-11H2,1H3/t12-,13-/m0/s1
InChIKeyRCOZAKRMOWEYNQ-STQMWFEESA-N
MW303.36 g/mol
LogP1.82
Rot. Bonds4

About [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 100757122) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID100757122
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1
InChIInChI=1S/C16H21N3O3/c1-21-14-15(18-9-8-17-14)22-13-7-10-19(11-13)16(20)12-5-3-2-4-6-12/h2-3,8-9,12-13H,4-7,10-11H2,1H3/t12-,13-/m0/s1
InChIKeyRCOZAKRMOWEYNQ-STQMWFEESA-N
XLogP1.82
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626673
4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 91628163
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-3-methylbut-2-en-1-one
CID 91628151
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone (CID 100757122) is [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is COc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is RCOZAKRMOWEYNQ-STQMWFEESA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-14-15(18-9-8-17-14)22-13-7-10-19(11-13)16(20)12-5-3-2-4-6-12/h2-3,8-9,12-13H,4-7,10-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 303.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100757122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).