3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one

C8H10O3 — CID 78411930

IUPAC3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one
SMILESCC=CC1OC(=O)C=CC1O
InChIInChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7,9H,1H3
InChIKeyOKDRUMBNXIYUEO-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.41
Rot. Bonds1

About 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one

3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one (PubChem CID 78411930) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one
PubChem CID78411930
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one
SMILESCC=CC1OC(=O)C=CC1O
InChIInChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7,9H,1H3
InChIKeyOKDRUMBNXIYUEO-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Osmundalactone
CID 12374456
Phomalactone
CID 6475274
Osumudalactome
CID 12374457
5-(1-Hydroxyethyl)-2(5H)-furanone
CID 12374454
Pectinolide C
CID 10038670
Phomopsolide B
CID 6442165
(5R)-5-[(1S)-1-Hydroxyethyl]-2(5H)-furanone
CID 10986239
2-(Prop-2-enoxymethyl)-2,3-dihydropyran-6-one
CID 12213804
Pectinolide B
CID 10400831
(S)-(-)-5-Hydroxymethyl-2(5H)-furanone
CID 10176122
[(2S,3S)-2-[(E,3R,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
CID 38360362
NCGC00384506-01_C15H20O6_(2S,3S)-2-[(1E,3S,4R)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate
CID 51136346

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one?
The IUPAC name of 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one (CID 78411930) is 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one?
The canonical SMILES for 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one is CC=CC1OC(=O)C=CC1O.
What is the InChIKey of 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one?
The InChIKey is OKDRUMBNXIYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7,9H,1H3.
What are the key properties of 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one?
3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one has a molecular weight of 154.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-prop-1-enyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 78411930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).