2-ethenyl-2-methyl-3H-pyran-6-one

C8H10O2 — CID 138982599

IUPAC2-ethenyl-2-methyl-3H-pyran-6-one
SMILESC=CC1(C)CC=CC(=O)O1
InChIInChI=1S/C8H10O2/c1-3-8(2)6-4-5-7(9)10-8/h3-5H,1,6H2,2H3
InChIKeyBDTJIYYMAKXFBK-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds1

About 2-ethenyl-2-methyl-3H-pyran-6-one

2-ethenyl-2-methyl-3H-pyran-6-one (PubChem CID 138982599) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-3H-pyran-6-one.

Molecular Properties

Compound Name2-ethenyl-2-methyl-3H-pyran-6-one
PubChem CID138982599
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-ethenyl-2-methyl-3H-pyran-6-one
SMILESC=CC1(C)CC=CC(=O)O1
InChIInChI=1S/C8H10O2/c1-3-8(2)6-4-5-7(9)10-8/h3-5H,1,6H2,2H3
InChIKeyBDTJIYYMAKXFBK-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-methyl-3H-pyran-6-one?
The IUPAC name of 2-ethenyl-2-methyl-3H-pyran-6-one (CID 138982599) is 2-ethenyl-2-methyl-3H-pyran-6-one.
What is the SMILES notation for 2-ethenyl-2-methyl-3H-pyran-6-one?
The canonical SMILES for 2-ethenyl-2-methyl-3H-pyran-6-one is C=CC1(C)CC=CC(=O)O1.
What is the InChIKey of 2-ethenyl-2-methyl-3H-pyran-6-one?
The InChIKey is BDTJIYYMAKXFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-8(2)6-4-5-7(9)10-8/h3-5H,1,6H2,2H3.
What are the key properties of 2-ethenyl-2-methyl-3H-pyran-6-one?
2-ethenyl-2-methyl-3H-pyran-6-one has a molecular weight of 138.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-3H-pyran-6-one is sourced from PubChem (CID 138982599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).