2-[5-(furan-2-yl)penta-1,3-dienyl]furan

C13H12O2 — CID 141170087

IUPAC2-[5-(furan-2-yl)penta-1,3-dienyl]furan
SMILESC(C=Cc1ccco1)=CCc1ccco1
InChIInChI=1S/C13H12O2/c1(2-6-12-8-4-10-14-12)3-7-13-9-5-11-15-13/h1-6,8-11H,7H2
InChIKeyAAUKCYDYGGXBEZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.68
Rot. Bonds4

About 2-[5-(furan-2-yl)penta-1,3-dienyl]furan

2-[5-(furan-2-yl)penta-1,3-dienyl]furan (PubChem CID 141170087) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)penta-1,3-dienyl]furan.

Molecular Properties

Compound Name2-[5-(furan-2-yl)penta-1,3-dienyl]furan
PubChem CID141170087
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-[5-(furan-2-yl)penta-1,3-dienyl]furan
SMILESC(C=Cc1ccco1)=CCc1ccco1
InChIInChI=1S/C13H12O2/c1(2-6-12-8-4-10-14-12)3-7-13-9-5-11-15-13/h1-6,8-11H,7H2
InChIKeyAAUKCYDYGGXBEZ-UHFFFAOYSA-N
XLogP3.68
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E,3Z)-hexa-1,3-dienyl]furan
CID 102244674
2-(3-fluoroprop-2-enyl)furan
CID 175355088
4-(furan-2-yl)but-2-en-1-amine
CID 70478448
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione
CID 14395653
2-(3-chloroprop-1-enyl)furan
CID 54215427
3-(furan-2-yl)-N,N-dimethylprop-1-en-1-amine
CID 150615164
2-[(E)-hex-2-enyl]furan
CID 13275150
(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine
CID 117265852
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)penta-1,3-dienyl]furan?
The IUPAC name of 2-[5-(furan-2-yl)penta-1,3-dienyl]furan (CID 141170087) is 2-[5-(furan-2-yl)penta-1,3-dienyl]furan.
What is the SMILES notation for 2-[5-(furan-2-yl)penta-1,3-dienyl]furan?
The canonical SMILES for 2-[5-(furan-2-yl)penta-1,3-dienyl]furan is C(C=Cc1ccco1)=CCc1ccco1.
What is the InChIKey of 2-[5-(furan-2-yl)penta-1,3-dienyl]furan?
The InChIKey is AAUKCYDYGGXBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1(2-6-12-8-4-10-14-12)3-7-13-9-5-11-15-13/h1-6,8-11H,7H2.
What are the key properties of 2-[5-(furan-2-yl)penta-1,3-dienyl]furan?
2-[5-(furan-2-yl)penta-1,3-dienyl]furan has a molecular weight of 200.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)penta-1,3-dienyl]furan is sourced from PubChem (CID 141170087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).