6-(2-methylprop-1-enyl)pyran-2-one

C9H10O2 — CID 10986411

IUPAC6-(2-methylprop-1-enyl)pyran-2-one
SMILESCC(C)=Cc1cccc(=O)o1
InChIInChI=1S/C9H10O2/c1-7(2)6-8-4-3-5-9(10)11-8/h3-6H,1-2H3
InChIKeyDVQZNJJOOHHKPL-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.06
Rot. Bonds1

About 6-(2-methylprop-1-enyl)pyran-2-one

6-(2-methylprop-1-enyl)pyran-2-one (PubChem CID 10986411) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 6-(2-methylprop-1-enyl)pyran-2-one.

Molecular Properties

Compound Name6-(2-methylprop-1-enyl)pyran-2-one
PubChem CID10986411
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name6-(2-methylprop-1-enyl)pyran-2-one
SMILESCC(C)=Cc1cccc(=O)o1
InChIInChI=1S/C9H10O2/c1-7(2)6-8-4-3-5-9(10)11-8/h3-6H,1-2H3
InChIKeyDVQZNJJOOHHKPL-UHFFFAOYSA-N
XLogP2.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylprop-1-enyl)pyran-2-one?
The IUPAC name of 6-(2-methylprop-1-enyl)pyran-2-one (CID 10986411) is 6-(2-methylprop-1-enyl)pyran-2-one.
What is the SMILES notation for 6-(2-methylprop-1-enyl)pyran-2-one?
The canonical SMILES for 6-(2-methylprop-1-enyl)pyran-2-one is CC(C)=Cc1cccc(=O)o1.
What is the InChIKey of 6-(2-methylprop-1-enyl)pyran-2-one?
The InChIKey is DVQZNJJOOHHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(2)6-8-4-3-5-9(10)11-8/h3-6H,1-2H3.
What are the key properties of 6-(2-methylprop-1-enyl)pyran-2-one?
6-(2-methylprop-1-enyl)pyran-2-one has a molecular weight of 150.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-1-enyl)pyran-2-one is sourced from PubChem (CID 10986411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).