3-ethenyl-2H-pyran-2-ol

C7H8O2 — CID 68979565

IUPAC3-ethenyl-2H-pyran-2-ol
SMILESC=CC1=CC=COC1O
InChIInChI=1S/C7H8O2/c1-2-6-4-3-5-9-7(6)8/h2-5,7-8H,1H2
InChIKeyAJCPKBFLPSAIAT-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.96
Rot. Bonds1

About 3-ethenyl-2H-pyran-2-ol

3-ethenyl-2H-pyran-2-ol (PubChem CID 68979565) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-ethenyl-2H-pyran-2-ol.

Molecular Properties

Compound Name3-ethenyl-2H-pyran-2-ol
PubChem CID68979565
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name3-ethenyl-2H-pyran-2-ol
SMILESC=CC1=CC=COC1O
InChIInChI=1S/C7H8O2/c1-2-6-4-3-5-9-7(6)8/h2-5,7-8H,1H2
InChIKeyAJCPKBFLPSAIAT-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2H-pyran-2-ol?
The IUPAC name of 3-ethenyl-2H-pyran-2-ol (CID 68979565) is 3-ethenyl-2H-pyran-2-ol.
What is the SMILES notation for 3-ethenyl-2H-pyran-2-ol?
The canonical SMILES for 3-ethenyl-2H-pyran-2-ol is C=CC1=CC=COC1O.
What is the InChIKey of 3-ethenyl-2H-pyran-2-ol?
The InChIKey is AJCPKBFLPSAIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-6-4-3-5-9-7(6)8/h2-5,7-8H,1H2.
What are the key properties of 3-ethenyl-2H-pyran-2-ol?
3-ethenyl-2H-pyran-2-ol has a molecular weight of 124.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2H-pyran-2-ol is sourced from PubChem (CID 68979565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).