(2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one

C10H12O3 — CID 89305323

IUPAC(2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(O)[C@H](C(=C)C)OC1=O
InChIInChI=1S/C10H12O3/c1-4-5-7-8(11)9(6(2)3)13-10(7)12/h4,9,11H,1-2,5H2,3H3/t9-/m0/s1
InChIKeyVEYHPMSNUANKMF-VIFPVBQESA-N
MW180.20 g/mol
LogP1.88
Rot. Bonds3

About (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one

(2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one (PubChem CID 89305323) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one
PubChem CID89305323
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(O)[C@H](C(=C)C)OC1=O
InChIInChI=1S/C10H12O3/c1-4-5-7-8(11)9(6(2)3)13-10(7)12/h4,9,11H,1-2,5H2,3H3/t9-/m0/s1
InChIKeyVEYHPMSNUANKMF-VIFPVBQESA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-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 (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one?
The IUPAC name of (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one (CID 89305323) is (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one is C=CCC1=C(O)[C@H](C(=C)C)OC1=O.
What is the InChIKey of (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one?
The InChIKey is VEYHPMSNUANKMF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12O3/c1-4-5-7-8(11)9(6(2)3)13-10(7)12/h4,9,11H,1-2,5H2,3H3/t9-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one?
(2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one has a molecular weight of 180.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-prop-1-en-2-yl-4-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 89305323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).