(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one

C15H15N3O3 — CID 100620236

IUPAC(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C15H15N3O3/c19-15(6-5-12-3-2-10-20-12)18-9-7-13(11-18)21-14-4-1-8-16-17-14/h1-6,8,10,13H,7,9,11H2/b6-5+/t13-/m1/s1
InChIKeyLYPLXKIWZIRAQF-URWSZGRFSA-N
MW285.30 g/mol
LogP1.76
Rot. Bonds4

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

(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 100620236) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
PubChem CID100620236
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C15H15N3O3/c19-15(6-5-12-3-2-10-20-12)18-9-7-13(11-18)21-14-4-1-8-16-17-14/h1-6,8,10,13H,7,9,11H2/b6-5+/t13-/m1/s1
InChIKeyLYPLXKIWZIRAQF-URWSZGRFSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one (CID 100620236) is (E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is LYPLXKIWZIRAQF-URWSZGRFSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-15(6-5-12-3-2-10-20-12)18-9-7-13(11-18)21-14-4-1-8-16-17-14/h1-6,8,10,13H,7,9,11H2/b6-5+/t13-/m1/s1.
What are the key properties of (E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-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-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 100620236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).