(E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one

C13H14O2 — CID 139260018

IUPAC(E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one
SMILESO=C(/C=C/C=C1CCCC1)c1ccco1
InChIInChI=1S/C13H14O2/c14-12(13-9-4-10-15-13)8-3-7-11-5-1-2-6-11/h3-4,7-10H,1-2,5-6H2/b8-3+
InChIKeyXXIRVBNBVCMONO-FPYGCLRLSA-N
MW202.25 g/mol
LogP3.52
Rot. Bonds3

About (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one

(E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one (PubChem CID 139260018) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one.

Molecular Properties

Compound Name(E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one
PubChem CID139260018
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one
SMILESO=C(/C=C/C=C1CCCC1)c1ccco1
InChIInChI=1S/C13H14O2/c14-12(13-9-4-10-15-13)8-3-7-11-5-1-2-6-11/h3-4,7-10H,1-2,5-6H2/b8-3+
InChIKeyXXIRVBNBVCMONO-FPYGCLRLSA-N
XLogP3.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-1-(furan-2-yl)nona-2,4-dien-1-one
CID 11458373
bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
(2E,6E)-8-(furan-2-yl)-5,5-dimethyl-8-oxoocta-2,6-dienal
CID 135078592
(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
1-(furan-2-yl)prop-2-en-1-one;1-methylpyrrolidine
CID 175602193
(E)-4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 68590353
4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 40637844
bis(furan-2-carbonyl)phosphanyl-(furan-2-yl)methanone
CID 18432898
(2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one
CID 42643419
cyclohepten-1-yl(furan-2-yl)methanone
CID 62080320
2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one?
The IUPAC name of (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one (CID 139260018) is (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one.
What is the SMILES notation for (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one?
The canonical SMILES for (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one is O=C(/C=C/C=C1CCCC1)c1ccco1.
What is the InChIKey of (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one?
The InChIKey is XXIRVBNBVCMONO-FPYGCLRLSA-N. The full InChI is InChI=1S/C13H14O2/c14-12(13-9-4-10-15-13)8-3-7-11-5-1-2-6-11/h3-4,7-10H,1-2,5-6H2/b8-3+.
What are the key properties of (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one?
(E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclopentylidene-1-(furan-2-yl)but-2-en-1-one is sourced from PubChem (CID 139260018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).