(5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one

C15H12O3 — CID 11053763

IUPAC(5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one
SMILESCC1=C/C(=C\C(C)=C\C#Cc2ccoc2)OC1=O
InChIInChI=1S/C15H12O3/c1-11(4-3-5-13-6-7-17-10-13)8-14-9-12(2)15(16)18-14/h4,6-10H,1-2H3/b11-4+,14-8+
InChIKeyJETXPZHVLNJOBX-SWQXQYHZSA-N
MW240.26 g/mol
LogP2.96
Rot. Bonds1

About (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one

(5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one (PubChem CID 11053763) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one.

Molecular Properties

Compound Name(5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one
PubChem CID11053763
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one
SMILESCC1=C/C(=C\C(C)=C\C#Cc2ccoc2)OC1=O
InChIInChI=1S/C15H12O3/c1-11(4-3-5-13-6-7-17-10-13)8-14-9-12(2)15(16)18-14/h4,6-10H,1-2H3/b11-4+,14-8+
InChIKeyJETXPZHVLNJOBX-SWQXQYHZSA-N
XLogP2.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one?
The IUPAC name of (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one (CID 11053763) is (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one.
What is the SMILES notation for (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one?
The canonical SMILES for (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one is CC1=C/C(=C\C(C)=C\C#Cc2ccoc2)OC1=O.
What is the InChIKey of (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one?
The InChIKey is JETXPZHVLNJOBX-SWQXQYHZSA-N. The full InChI is InChI=1S/C15H12O3/c1-11(4-3-5-13-6-7-17-10-13)8-14-9-12(2)15(16)18-14/h4,6-10H,1-2H3/b11-4+,14-8+.
What are the key properties of (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one?
(5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-5-(furan-3-yl)-2-methylpent-2-en-4-ynylidene]-3-methylfuran-2-one is sourced from PubChem (CID 11053763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).