2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one

C12H14O2 — CID 164603451

IUPAC2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one
SMILESC=Cc1c(/C=C\CC)oc(C)cc1=O
InChIInChI=1S/C12H14O2/c1-4-6-7-12-10(5-2)11(13)8-9(3)14-12/h5-8H,2,4H2,1,3H3/b7-6-
InChIKeyCAYOCFDVZSRTAS-SREVYHEPSA-N
MW190.24 g/mol
LogP3.01
Rot. Bonds3

About 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one

2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one (PubChem CID 164603451) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one
PubChem CID164603451
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one
SMILESC=Cc1c(/C=C\CC)oc(C)cc1=O
InChIInChI=1S/C12H14O2/c1-4-6-7-12-10(5-2)11(13)8-9(3)14-12/h5-8H,2,4H2,1,3H3/b7-6-
InChIKeyCAYOCFDVZSRTAS-SREVYHEPSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one?
The IUPAC name of 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one (CID 164603451) is 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one?
The canonical SMILES for 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one is C=Cc1c(/C=C\CC)oc(C)cc1=O.
What is the InChIKey of 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one?
The InChIKey is CAYOCFDVZSRTAS-SREVYHEPSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-6-7-12-10(5-2)11(13)8-9(3)14-12/h5-8H,2,4H2,1,3H3/b7-6-.
What are the key properties of 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one?
2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one has a molecular weight of 190.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-3-ethenyl-6-methylpyran-4-one is sourced from PubChem (CID 164603451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).