5-hydroxy-2,5-dihydropyran-6-one

C5H6O3 — CID 11983869

IUPAC5-hydroxy-2,5-dihydropyran-6-one
SMILESO=C1OCC=CC1O
InChIInChI=1S/C5H6O3/c6-4-2-1-3-8-5(4)7/h1-2,4,6H,3H2
InChIKeyCUFAWDAVXLDRKN-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.54
Rot. Bonds

About 5-hydroxy-2,5-dihydropyran-6-one

5-hydroxy-2,5-dihydropyran-6-one (PubChem CID 11983869) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 5-hydroxy-2,5-dihydropyran-6-one.

Molecular Properties

Compound Name5-hydroxy-2,5-dihydropyran-6-one
PubChem CID11983869
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name5-hydroxy-2,5-dihydropyran-6-one
SMILESO=C1OCC=CC1O
InChIInChI=1S/C5H6O3/c6-4-2-1-3-8-5(4)7/h1-2,4,6H,3H2
InChIKeyCUFAWDAVXLDRKN-UHFFFAOYSA-N
XLogP-0.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2,5-dihydropyran-6-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

2,5-Dihydro-2-furancarboxylic acid
CID 12200717
3,6-dihydro-2H-pyran-2-carboxylic acid
CID 14139962
(E)-hex-2-enyl lactate
CID 6366079
trans-2-Hexenyl lactate
CID 3020789
Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
CID 44149409
5-Methyl-2,5-dihydrofuran-2-carboxylic acid
CID 12634720
5,6-Dihydro-5-hydroxy-pyran-2-one
CID 86153841
ethyl (E,2R)-2-hydroxypent-3-enoate
CID 88882465
trans-5-Methyl-2,5-dihydro-2-furoic acid
CID 96005265
trans-2,5-Dihydroxy-3-pentenoic acid methyl ester
CID 124135929
2-Hydroxy-But-3-Enoic Acid Allyl Ester
CID 260918
ethyl (Z)-2-hydroxypent-3-enoate
CID 5354567

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,5-dihydropyran-6-one?
The IUPAC name of 5-hydroxy-2,5-dihydropyran-6-one (CID 11983869) is 5-hydroxy-2,5-dihydropyran-6-one.
What is the SMILES notation for 5-hydroxy-2,5-dihydropyran-6-one?
The canonical SMILES for 5-hydroxy-2,5-dihydropyran-6-one is O=C1OCC=CC1O.
What is the InChIKey of 5-hydroxy-2,5-dihydropyran-6-one?
The InChIKey is CUFAWDAVXLDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-4-2-1-3-8-5(4)7/h1-2,4,6H,3H2.
What are the key properties of 5-hydroxy-2,5-dihydropyran-6-one?
5-hydroxy-2,5-dihydropyran-6-one has a molecular weight of 114.10 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,5-dihydropyran-6-one is sourced from PubChem (CID 11983869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).