5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one

C8H10O3 — CID 91799249

IUPAC5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one
SMILESC/C=C/C1=CC(C)(O)OC1=O
InChIInChI=1S/C8H10O3/c1-3-4-6-5-8(2,10)11-7(6)9/h3-5,10H,1-2H3/b4-3+
InChIKeyGTXZVKRHAGKJNM-ONEGZZNKSA-N
MW154.16 g/mol
LogP0.75
Rot. Bonds1

About 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one

5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one (PubChem CID 91799249) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one.

Molecular Properties

Compound Name5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one
PubChem CID91799249
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one
SMILESC/C=C/C1=CC(C)(O)OC1=O
InChIInChI=1S/C8H10O3/c1-3-4-6-5-8(2,10)11-7(6)9/h3-5,10H,1-2H3/b4-3+
InChIKeyGTXZVKRHAGKJNM-ONEGZZNKSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-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-[(E)-3-hydroxybut-1-enyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
CID 86573697
Tricladolide A
CID 11593996
Bombardolide C
CID 10330245
3-methyl-4-[(1E,3E,5E)-6-methyl-7-oxoocta-1,3,5-trienyl]furan-2,5-dione
CID 6443518
5-Hydroxy-3,5-dimethyl-2,5-dihydrofuran-2-one
CID 9812783
Bombardolide A
CID 10261701
2(5H)-Furanone, 5-hydroxy-5-(1-methylethenyl)-
CID 304729
(5R)-5-(1E)-1,3-Butadien-1-yl-3-(1E)-1-propen-1-yl-2(5H)-furanone
CID 10965058
(Z)-4-hydroxy-4-methyl-2-(1-hexenyl)-2-butenolide
CID 10655498
3-Methyl-4-(6-methyl-7-oxoocta-1,3,5-trienyl)furan-2,5-dione
CID 190912
(5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one
CID 10888517
(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid
CID 11745513

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one?
The IUPAC name of 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one (CID 91799249) is 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one.
What is the SMILES notation for 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one?
The canonical SMILES for 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one is C/C=C/C1=CC(C)(O)OC1=O.
What is the InChIKey of 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one?
The InChIKey is GTXZVKRHAGKJNM-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-4-6-5-8(2,10)11-7(6)9/h3-5,10H,1-2H3/b4-3+.
What are the key properties of 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one?
5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methyl-3-[(E)-prop-1-enyl]furan-2-one is sourced from PubChem (CID 91799249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).