(5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one

C10H10O4 — CID 54677907

IUPAC(5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one
SMILESCC=C/C=C1\OC(=O)C(C(C)=O)=C1O
InChIInChI=1S/C10H10O4/c1-3-4-5-7-9(12)8(6(2)11)10(13)14-7/h3-5,12H,1-2H3/b4-3?,7-5-
InChIKeyFGKKLSMIVDKAIS-YFPBZNGSSA-N
MW194.19 g/mol
LogP1.40
Rot. Bonds2

About (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one

(5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one (PubChem CID 54677907) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one.

Molecular Properties

Compound Name(5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one
PubChem CID54677907
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one
SMILESCC=C/C=C1\OC(=O)C(C(C)=O)=C1O
InChIInChI=1S/C10H10O4/c1-3-4-5-7-9(12)8(6(2)11)10(13)14-7/h3-5,12H,1-2H3/b4-3?,7-5-
InChIKeyFGKKLSMIVDKAIS-YFPBZNGSSA-N
XLogP1.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one
CID 54678494
Xanthofusin
CID 54697199
Italicinic acid
CID 54679381
2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(1-oxo-2-butenyl)-
CID 135570617
(5Z)-4-methyl-5-(3-methylbut-2-enylidene)-2-oxofuran-3-carboxylic acid
CID 168279802
4-Hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one
CID 76173461
(2Z)-2-[3-hydroxy-4-[(E,4R)-4-methyloct-2-enoyl]-5-oxofuran-2-ylidene]acetic acid
CID 163035135
Sodium dehydroacetate monohydrate
CID 23692662
methyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)-3-oxobutanoate
CID 101066226
(E)-Methyl 4-(4-hydroxy-5-oxofuran-2(5H)-ylidene)-3-oxobutanoate
CID 45093277
(5S)-3-acetyl-5-[(1E,3E)-hexa-1,3-dienyl]-4-hydroxy-5-methylfuran-2-one
CID 54717272
3-[(2E,4E,6E)-4,6-dimethylocta-2,4,6-trienoyl]-4-hydroxy-5-methylidenefuran-2-one
CID 102228051

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one?
The IUPAC name of (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one (CID 54677907) is (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one.
What is the SMILES notation for (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one?
The canonical SMILES for (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one is CC=C/C=C1\OC(=O)C(C(C)=O)=C1O.
What is the InChIKey of (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one?
The InChIKey is FGKKLSMIVDKAIS-YFPBZNGSSA-N. The full InChI is InChI=1S/C10H10O4/c1-3-4-5-7-9(12)8(6(2)11)10(13)14-7/h3-5,12H,1-2H3/b4-3?,7-5-.
What are the key properties of (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one?
(5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one has a molecular weight of 194.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-acetyl-5-but-2-enylidene-4-hydroxyfuran-2-one is sourced from PubChem (CID 54677907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).