(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one

C15H15N3O3 — CID 100752927

IUPAC(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C15H15N3O3/c19-15(4-3-12-2-1-9-20-12)18-8-5-13(11-18)21-14-10-16-6-7-17-14/h1-4,6-7,9-10,13H,5,8,11H2/b4-3+/t13-/m0/s1
InChIKeyXCLMNFSYCPKCHU-OOPCZODUSA-N
MW285.30 g/mol
LogP1.76
Rot. Bonds4

About (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one

(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 100752927) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one
PubChem CID100752927
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C15H15N3O3/c19-15(4-3-12-2-1-9-20-12)18-8-5-13(11-18)21-14-10-16-6-7-17-14/h1-4,6-7,9-10,13H,5,8,11H2/b4-3+/t13-/m0/s1
InChIKeyXCLMNFSYCPKCHU-OOPCZODUSA-N
XLogP1.76
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 71799170
(E)-3-(furan-2-yl)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]prop-2-en-1-one
CID 91627002
(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90636129
(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100620236
(E)-1-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 100616007
(E)-3-(furan-2-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)prop-2-en-1-one
CID 122161040
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
(E)-3-(2-chlorophenyl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)prop-2-en-1-one
CID 117054772
(E)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90636130
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628516
(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one
CID 122247415

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one (CID 100752927) is (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CC[C@H](Oc2cnccn2)C1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is XCLMNFSYCPKCHU-OOPCZODUSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-15(4-3-12-2-1-9-20-12)18-8-5-13(11-18)21-14-10-16-6-7-17-14/h1-4,6-7,9-10,13H,5,8,11H2/b4-3+/t13-/m0/s1.
What are the key properties of (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 285.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 100752927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).