(2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one

C13H16O2 — CID 11458373

IUPAC(2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one
SMILESCCCC/C=C/C=C/C(=O)c1ccco1
InChIInChI=1S/C13H16O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h5-11H,2-4H2,1H3/b6-5+,9-7+
InChIKeyJCSDHOGNTCRPMM-SBIWHPGTSA-N
MW204.27 g/mol
LogP3.76
Rot. Bonds6

About (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one

(2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one (PubChem CID 11458373) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one
PubChem CID11458373
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one
SMILESCCCC/C=C/C=C/C(=O)c1ccco1
InChIInChI=1S/C13H16O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h5-11H,2-4H2,1H3/b6-5+,9-7+
InChIKeyJCSDHOGNTCRPMM-SBIWHPGTSA-N
XLogP3.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(furan-2-yl)oct-3-en-1-one
CID 15606164
furan-2-carboxylic acid;hexane
CID 157215891
1-(furan-2-yl)undecan-1-one
CID 15721327
(E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one
CID 139260018
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one
CID 23591129
(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 92909359
N-[1-(furan-2-yl)ethylideneamino]undecanamide
CID 5060301
N-[(Z)-3-oxooct-1-enyl]furan-2-carboxamide
CID 134951622
N-[(E)-1-(furan-2-yl)ethylideneamino]undecanamide
CID 6260551
(7E,9E)-tetradeca-7,9-dien-6-one
CID 102586643
(2E,5Z)-1-triphenylsilyldeca-2,5-dien-1-one
CID 135078042

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one (CID 11458373) is (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one is CCCC/C=C/C=C/C(=O)c1ccco1.
What is the InChIKey of (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one?
The InChIKey is JCSDHOGNTCRPMM-SBIWHPGTSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h5-11H,2-4H2,1H3/b6-5+,9-7+.
What are the key properties of (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one?
(2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one has a molecular weight of 204.27 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one is sourced from PubChem (CID 11458373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).