(6E)-5-methyl-6-prop-2-enylidenepyran-3-one

C9H10O2 — CID 91593772

IUPAC(6E)-5-methyl-6-prop-2-enylidenepyran-3-one
SMILESC=C/C=C1/OCC(=O)C=C1C
InChIInChI=1S/C9H10O2/c1-3-4-9-7(2)5-8(10)6-11-9/h3-5H,1,6H2,2H3/b9-4+
InChIKeyJUVIXZGTWMAVMU-RUDMXATFSA-N
MW150.18 g/mol
LogP1.60
Rot. Bonds1

About (6E)-5-methyl-6-prop-2-enylidenepyran-3-one

(6E)-5-methyl-6-prop-2-enylidenepyran-3-one (PubChem CID 91593772) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (6E)-5-methyl-6-prop-2-enylidenepyran-3-one.

Molecular Properties

Compound Name(6E)-5-methyl-6-prop-2-enylidenepyran-3-one
PubChem CID91593772
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(6E)-5-methyl-6-prop-2-enylidenepyran-3-one
SMILESC=C/C=C1/OCC(=O)C=C1C
InChIInChI=1S/C9H10O2/c1-3-4-9-7(2)5-8(10)6-11-9/h3-5H,1,6H2,2H3/b9-4+
InChIKeyJUVIXZGTWMAVMU-RUDMXATFSA-N
XLogP1.60
TPSA26.30 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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-5-methyl-6-prop-2-enylidenepyran-3-one?
The IUPAC name of (6E)-5-methyl-6-prop-2-enylidenepyran-3-one (CID 91593772) is (6E)-5-methyl-6-prop-2-enylidenepyran-3-one.
What is the SMILES notation for (6E)-5-methyl-6-prop-2-enylidenepyran-3-one?
The canonical SMILES for (6E)-5-methyl-6-prop-2-enylidenepyran-3-one is C=C/C=C1/OCC(=O)C=C1C.
What is the InChIKey of (6E)-5-methyl-6-prop-2-enylidenepyran-3-one?
The InChIKey is JUVIXZGTWMAVMU-RUDMXATFSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-4-9-7(2)5-8(10)6-11-9/h3-5H,1,6H2,2H3/b9-4+.
What are the key properties of (6E)-5-methyl-6-prop-2-enylidenepyran-3-one?
(6E)-5-methyl-6-prop-2-enylidenepyran-3-one has a molecular weight of 150.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-methyl-6-prop-2-enylidenepyran-3-one is sourced from PubChem (CID 91593772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).