1,5-bis(furan-2-yl)penta-1,4-dien-3-one

C13H10O3 — CID 13453

IUPAC1,5-bis(furan-2-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccco1)C=Cc1ccco1
InChIInChI=1S/C13H10O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H
InChIKeyXOOFLVNFEPIPIW-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.17
Rot. Bonds4

About 1,5-bis(furan-2-yl)penta-1,4-dien-3-one

1,5-bis(furan-2-yl)penta-1,4-dien-3-one (PubChem CID 13453) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1,5-bis(furan-2-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-bis(furan-2-yl)penta-1,4-dien-3-one
PubChem CID13453
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name1,5-bis(furan-2-yl)penta-1,4-dien-3-one
SMILESO=C(C=Cc1ccco1)C=Cc1ccco1
InChIInChI=1S/C13H10O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H
InChIKeyXOOFLVNFEPIPIW-UHFFFAOYSA-N
XLogP3.17
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Furfural
CID 7362
2,5-Dimethylfuran
CID 12266
2-Methylfuran
CID 10797
2-Pentylfuran
CID 19602
2-Furanmethanethiol
CID 7363
2-Ethylfuran
CID 18554
2-Butylfuran
CID 20534
2-Ethyl-5-methylfuran
CID 74346
Furfuryl isopropyl sulfide
CID 61282
2,2'-(Dithiodimethylene)difuran
CID 20499
Furfuryl thioacetate
CID 61660
2-Heptylfuran
CID 19603

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(furan-2-yl)penta-1,4-dien-3-one?
The IUPAC name of 1,5-bis(furan-2-yl)penta-1,4-dien-3-one (CID 13453) is 1,5-bis(furan-2-yl)penta-1,4-dien-3-one.
What is the SMILES notation for 1,5-bis(furan-2-yl)penta-1,4-dien-3-one?
The canonical SMILES for 1,5-bis(furan-2-yl)penta-1,4-dien-3-one is O=C(C=Cc1ccco1)C=Cc1ccco1.
What is the InChIKey of 1,5-bis(furan-2-yl)penta-1,4-dien-3-one?
The InChIKey is XOOFLVNFEPIPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H.
What are the key properties of 1,5-bis(furan-2-yl)penta-1,4-dien-3-one?
1,5-bis(furan-2-yl)penta-1,4-dien-3-one has a molecular weight of 214.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(furan-2-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 13453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).