1,5-bis(furan-2-yl)pent-1-en-3-one

C13H12O3 — CID 76595416

IUPAC1,5-bis(furan-2-yl)pent-1-en-3-one
SMILESO=C(C=Cc1ccco1)CCc1ccco1
InChIInChI=1S/C13H12O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-5,7,9-10H,6,8H2
InChIKeyLKAGPPDHFOITET-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.09
Rot. Bonds5

About 1,5-bis(furan-2-yl)pent-1-en-3-one

1,5-bis(furan-2-yl)pent-1-en-3-one (PubChem CID 76595416) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1,5-bis(furan-2-yl)pent-1-en-3-one.

Molecular Properties

Compound Name1,5-bis(furan-2-yl)pent-1-en-3-one
PubChem CID76595416
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name1,5-bis(furan-2-yl)pent-1-en-3-one
SMILESO=C(C=Cc1ccco1)CCc1ccco1
InChIInChI=1S/C13H12O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-5,7,9-10H,6,8H2
InChIKeyLKAGPPDHFOITET-UHFFFAOYSA-N
XLogP3.09
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.09
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

(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
1-(3-tert-butyl-4-hydroxyphenyl)-5-(furan-2-yl)pent-1-en-3-one
CID 57003252
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2380128
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5146395
tert-butyl 3-(furan-2-yl)propanoate
CID 63897010
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(furan-2-yl)pent-1-en-3-one?
The IUPAC name of 1,5-bis(furan-2-yl)pent-1-en-3-one (CID 76595416) is 1,5-bis(furan-2-yl)pent-1-en-3-one.
What is the SMILES notation for 1,5-bis(furan-2-yl)pent-1-en-3-one?
The canonical SMILES for 1,5-bis(furan-2-yl)pent-1-en-3-one is O=C(C=Cc1ccco1)CCc1ccco1.
What is the InChIKey of 1,5-bis(furan-2-yl)pent-1-en-3-one?
The InChIKey is LKAGPPDHFOITET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-5,7,9-10H,6,8H2.
What are the key properties of 1,5-bis(furan-2-yl)pent-1-en-3-one?
1,5-bis(furan-2-yl)pent-1-en-3-one has a molecular weight of 216.24 g/mol, XLogP of 3.09, 5 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)pent-1-en-3-one is sourced from PubChem (CID 76595416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).