5-methylidene-2H-pyran

C6H8O — CID 57031835

IUPAC5-methylidene-2H-pyran
SMILESC=C1C=CCOC1
InChIInChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h2-3H,1,4-5H2
InChIKeyZJYJIBDFYCXQBI-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.13
Rot. Bonds

About 5-methylidene-2H-pyran

5-methylidene-2H-pyran (PubChem CID 57031835) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 5-methylidene-2H-pyran.

Molecular Properties

Compound Name5-methylidene-2H-pyran
PubChem CID57031835
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name5-methylidene-2H-pyran
SMILESC=C1C=CCOC1
InChIInChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h2-3H,1,4-5H2
InChIKeyZJYJIBDFYCXQBI-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2H-pyran?
The IUPAC name of 5-methylidene-2H-pyran (CID 57031835) is 5-methylidene-2H-pyran.
What is the SMILES notation for 5-methylidene-2H-pyran?
The canonical SMILES for 5-methylidene-2H-pyran is C=C1C=CCOC1.
What is the InChIKey of 5-methylidene-2H-pyran?
The InChIKey is ZJYJIBDFYCXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h2-3H,1,4-5H2.
What are the key properties of 5-methylidene-2H-pyran?
5-methylidene-2H-pyran has a molecular weight of 96.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2H-pyran is sourced from PubChem (CID 57031835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).