4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one

C10H12O4 — CID 6446911

IUPAC4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one
SMILESCC(C)/C=C/C(=O)C1=C(O)C(=O)OC1
InChIInChI=1S/C10H12O4/c1-6(2)3-4-8(11)7-5-14-10(13)9(7)12/h3-4,6,12H,5H2,1-2H3/b4-3+
InChIKeyUHBWGAZSBCIWJP-ONEGZZNKSA-N
MW196.20 g/mol
LogP1.14
Rot. Bonds3

About 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one

4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one (PubChem CID 6446911) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one
PubChem CID6446911
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one
SMILESCC(C)/C=C/C(=O)C1=C(O)C(=O)OC1
InChIInChI=1S/C10H12O4/c1-6(2)3-4-8(11)7-5-14-10(13)9(7)12/h3-4,6,12H,5H2,1-2H3/b4-3+
InChIKeyUHBWGAZSBCIWJP-ONEGZZNKSA-N
XLogP1.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one?
The IUPAC name of 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one (CID 6446911) is 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one?
The canonical SMILES for 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one is CC(C)/C=C/C(=O)C1=C(O)C(=O)OC1.
What is the InChIKey of 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one?
The InChIKey is UHBWGAZSBCIWJP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12O4/c1-6(2)3-4-8(11)7-5-14-10(13)9(7)12/h3-4,6,12H,5H2,1-2H3/b4-3+.
What are the key properties of 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one?
4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one has a molecular weight of 196.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-4-methylpent-2-enoyl]-2H-furan-5-one is sourced from PubChem (CID 6446911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).