(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one

C17H17N3O2 — CID 90636129

IUPAC(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C17H17N3O2/c21-17(7-6-14-4-2-1-3-5-14)20-11-8-15(13-20)22-16-12-18-9-10-19-16/h1-7,9-10,12,15H,8,11,13H2/b7-6+
InChIKeyJOSYRJJCCXFNTA-VOTSOKGWSA-N
MW295.34 g/mol
LogP2.17
Rot. Bonds4

About (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one

(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one (PubChem CID 90636129) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
PubChem CID90636129
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C17H17N3O2/c21-17(7-6-14-4-2-1-3-5-14)20-11-8-15(13-20)22-16-12-18-9-10-19-16/h1-7,9-10,12,15H,8,11,13H2/b7-6+
InChIKeyJOSYRJJCCXFNTA-VOTSOKGWSA-N
XLogP2.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100752927
(E)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90636130
(E)-3-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100621078
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(E)-3-(2-chlorophenyl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 117054772
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
(E)-3-(furan-2-yl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799170
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799214

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one (CID 90636129) is (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one?
The InChIKey is JOSYRJJCCXFNTA-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(7-6-14-4-2-1-3-5-14)20-11-8-15(13-20)22-16-12-18-9-10-19-16/h1-7,9-10,12,15H,8,11,13H2/b7-6+.
What are the key properties of (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one?
(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one has a molecular weight of 295.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 90636129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).