6-prop-2-enyl-2H-pyran

C8H10O — CID 56617402

IUPAC6-prop-2-enyl-2H-pyran
SMILESC=CCC1=CC=CCO1
InChIInChI=1S/C8H10O/c1-2-5-8-6-3-4-7-9-8/h2-4,6H,1,5,7H2
InChIKeyVHJGPRHRLBEMJE-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.03
Rot. Bonds2

About 6-prop-2-enyl-2H-pyran

6-prop-2-enyl-2H-pyran (PubChem CID 56617402) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-prop-2-enyl-2H-pyran.

Molecular Properties

Compound Name6-prop-2-enyl-2H-pyran
PubChem CID56617402
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name6-prop-2-enyl-2H-pyran
SMILESC=CCC1=CC=CCO1
InChIInChI=1S/C8H10O/c1-2-5-8-6-3-4-7-9-8/h2-4,6H,1,5,7H2
InChIKeyVHJGPRHRLBEMJE-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-prop-2-enyl-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 6-prop-2-enyl-2H-pyran?
The IUPAC name of 6-prop-2-enyl-2H-pyran (CID 56617402) is 6-prop-2-enyl-2H-pyran.
What is the SMILES notation for 6-prop-2-enyl-2H-pyran?
The canonical SMILES for 6-prop-2-enyl-2H-pyran is C=CCC1=CC=CCO1.
What is the InChIKey of 6-prop-2-enyl-2H-pyran?
The InChIKey is VHJGPRHRLBEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-5-8-6-3-4-7-9-8/h2-4,6H,1,5,7H2.
What are the key properties of 6-prop-2-enyl-2H-pyran?
6-prop-2-enyl-2H-pyran has a molecular weight of 122.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-2H-pyran is sourced from PubChem (CID 56617402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).