3-ethenyl-2H-pyran

C7H8O — CID 153105375

IUPAC3-ethenyl-2H-pyran
SMILESC=CC1=CC=COC1
InChIInChI=1S/C7H8O/c1-2-7-4-3-5-8-6-7/h2-5H,1,6H2
InChIKeyVRWOEMOJAQPANE-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.64
Rot. Bonds1

About 3-ethenyl-2H-pyran

3-ethenyl-2H-pyran (PubChem CID 153105375) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-ethenyl-2H-pyran.

Molecular Properties

Compound Name3-ethenyl-2H-pyran
PubChem CID153105375
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name3-ethenyl-2H-pyran
SMILESC=CC1=CC=COC1
InChIInChI=1S/C7H8O/c1-2-7-4-3-5-8-6-7/h2-5H,1,6H2
InChIKeyVRWOEMOJAQPANE-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethenyl-2H-pyran 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 3-ethenyl-2H-pyran?
The IUPAC name of 3-ethenyl-2H-pyran (CID 153105375) is 3-ethenyl-2H-pyran.
What is the SMILES notation for 3-ethenyl-2H-pyran?
The canonical SMILES for 3-ethenyl-2H-pyran is C=CC1=CC=COC1.
What is the InChIKey of 3-ethenyl-2H-pyran?
The InChIKey is VRWOEMOJAQPANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-2-7-4-3-5-8-6-7/h2-5H,1,6H2.
What are the key properties of 3-ethenyl-2H-pyran?
3-ethenyl-2H-pyran has a molecular weight of 108.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2H-pyran is sourced from PubChem (CID 153105375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).