2-ethenyl-2H-pyran

C7H8O — CID 69178951

IUPAC2-ethenyl-2H-pyran
SMILESC=CC1C=CC=CO1
InChIInChI=1S/C7H8O/c1-2-7-5-3-4-6-8-7/h2-7H,1H2
InChIKeyIPGDQHSSAQJORG-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.64
Rot. Bonds1

About 2-ethenyl-2H-pyran

2-ethenyl-2H-pyran (PubChem CID 69178951) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-ethenyl-2H-pyran.

Molecular Properties

Compound Name2-ethenyl-2H-pyran
PubChem CID69178951
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name2-ethenyl-2H-pyran
SMILESC=CC1C=CC=CO1
InChIInChI=1S/C7H8O/c1-2-7-5-3-4-6-8-7/h2-7H,1H2
InChIKeyIPGDQHSSAQJORG-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2H-pyran?
The IUPAC name of 2-ethenyl-2H-pyran (CID 69178951) is 2-ethenyl-2H-pyran.
What is the SMILES notation for 2-ethenyl-2H-pyran?
The canonical SMILES for 2-ethenyl-2H-pyran is C=CC1C=CC=CO1.
What is the InChIKey of 2-ethenyl-2H-pyran?
The InChIKey is IPGDQHSSAQJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-2-7-5-3-4-6-8-7/h2-7H,1H2.
What are the key properties of 2-ethenyl-2H-pyran?
2-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 2-ethenyl-2H-pyran is sourced from PubChem (CID 69178951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).