1-(furan-3-yl)-3-phenyliminopropan-1-one

C13H11NO2 — CID 91294194

IUPAC1-(furan-3-yl)-3-phenyliminopropan-1-one
SMILESO=C(C/C=N/c1ccccc1)c1ccoc1
InChIInChI=1S/C13H11NO2/c15-13(11-7-9-16-10-11)6-8-14-12-4-2-1-3-5-12/h1-5,7-10H,6H2/b14-8+
InChIKeyZIQLQQUBWBUSGY-RIYZIHGNSA-N
MW213.24 g/mol
LogP3.25
Rot. Bonds4

About 1-(furan-3-yl)-3-phenyliminopropan-1-one

1-(furan-3-yl)-3-phenyliminopropan-1-one (PubChem CID 91294194) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-phenyliminopropan-1-one.

Molecular Properties

Compound Name1-(furan-3-yl)-3-phenyliminopropan-1-one
PubChem CID91294194
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name1-(furan-3-yl)-3-phenyliminopropan-1-one
SMILESO=C(C/C=N/c1ccccc1)c1ccoc1
InChIInChI=1S/C13H11NO2/c15-13(11-7-9-16-10-11)6-8-14-12-4-2-1-3-5-12/h1-5,7-10H,6H2/b14-8+
InChIKeyZIQLQQUBWBUSGY-RIYZIHGNSA-N
XLogP3.25
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-phenyliminopropan-1-one?
The IUPAC name of 1-(furan-3-yl)-3-phenyliminopropan-1-one (CID 91294194) is 1-(furan-3-yl)-3-phenyliminopropan-1-one.
What is the SMILES notation for 1-(furan-3-yl)-3-phenyliminopropan-1-one?
The canonical SMILES for 1-(furan-3-yl)-3-phenyliminopropan-1-one is O=C(C/C=N/c1ccccc1)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-phenyliminopropan-1-one?
The InChIKey is ZIQLQQUBWBUSGY-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(11-7-9-16-10-11)6-8-14-12-4-2-1-3-5-12/h1-5,7-10H,6H2/b14-8+.
What are the key properties of 1-(furan-3-yl)-3-phenyliminopropan-1-one?
1-(furan-3-yl)-3-phenyliminopropan-1-one has a molecular weight of 213.24 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-phenyliminopropan-1-one is sourced from PubChem (CID 91294194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).