(5Z)-3-ethyl-5-propylidenefuran-2-one

C9H12O2 — CID 134916039

IUPAC(5Z)-3-ethyl-5-propylidenefuran-2-one
SMILESCC/C=C1/C=C(CC)C(=O)O1
InChIInChI=1S/C9H12O2/c1-3-5-8-6-7(4-2)9(10)11-8/h5-6H,3-4H2,1-2H3/b8-5-
InChIKeyGIVYXNBQXHPMIY-YVMONPNESA-N
MW152.19 g/mol
LogP2.17
Rot. Bonds2

About (5Z)-3-ethyl-5-propylidenefuran-2-one

(5Z)-3-ethyl-5-propylidenefuran-2-one (PubChem CID 134916039) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-propylidenefuran-2-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-propylidenefuran-2-one
PubChem CID134916039
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(5Z)-3-ethyl-5-propylidenefuran-2-one
SMILESCC/C=C1/C=C(CC)C(=O)O1
InChIInChI=1S/C9H12O2/c1-3-5-8-6-7(4-2)9(10)11-8/h5-6H,3-4H2,1-2H3/b8-5-
InChIKeyGIVYXNBQXHPMIY-YVMONPNESA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Mesitene lactone
CID 12662
3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
CID 13051
Bovolide
CID 6433214
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
CID 162589
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
Nectriapyrone
CID 5358550
4-Hydroxy-6-methyl-3-(3-methylbut-2-enyl)pyran-2-one
CID 54679299
Nigerapyrone E
CID 53483954
4-Methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one
CID 13480869
6-Acetyl-3-methylpyran-2-one
CID 10080571
3-Ethyl-4-hydroxy-6-methyl-2H-pyran-2-one
CID 54695810

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-5-propylidenefuran-2-one?
The IUPAC name of (5Z)-3-ethyl-5-propylidenefuran-2-one (CID 134916039) is (5Z)-3-ethyl-5-propylidenefuran-2-one.
What is the SMILES notation for (5Z)-3-ethyl-5-propylidenefuran-2-one?
The canonical SMILES for (5Z)-3-ethyl-5-propylidenefuran-2-one is CC/C=C1/C=C(CC)C(=O)O1.
What is the InChIKey of (5Z)-3-ethyl-5-propylidenefuran-2-one?
The InChIKey is GIVYXNBQXHPMIY-YVMONPNESA-N. The full InChI is InChI=1S/C9H12O2/c1-3-5-8-6-7(4-2)9(10)11-8/h5-6H,3-4H2,1-2H3/b8-5-.
What are the key properties of (5Z)-3-ethyl-5-propylidenefuran-2-one?
(5Z)-3-ethyl-5-propylidenefuran-2-one has a molecular weight of 152.19 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-propylidenefuran-2-one is sourced from PubChem (CID 134916039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).