5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one

C11H14O3 — CID 38357489

IUPAC5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one
SMILESCC/C=C/c1c(OC)cc(=O)oc1C
InChIInChI=1S/C11H14O3/c1-4-5-6-9-8(2)14-11(12)7-10(9)13-3/h5-7H,4H2,1-3H3/b6-5+
InChIKeyYKTRFCJDTCAPSG-AATRIKPKSA-N
MW194.23 g/mol
LogP2.38
Rot. Bonds3

About 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one

5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one (PubChem CID 38357489) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one
PubChem CID38357489
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one
SMILESCC/C=C/c1c(OC)cc(=O)oc1C
InChIInChI=1S/C11H14O3/c1-4-5-6-9-8(2)14-11(12)7-10(9)13-3/h5-7H,4H2,1-3H3/b6-5+
InChIKeyYKTRFCJDTCAPSG-AATRIKPKSA-N
XLogP2.38
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one?
The IUPAC name of 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one (CID 38357489) is 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one.
What is the SMILES notation for 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one?
The canonical SMILES for 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one is CC/C=C/c1c(OC)cc(=O)oc1C.
What is the InChIKey of 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one?
The InChIKey is YKTRFCJDTCAPSG-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-5-6-9-8(2)14-11(12)7-10(9)13-3/h5-7H,4H2,1-3H3/b6-5+.
What are the key properties of 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one?
5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one has a molecular weight of 194.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-4-methoxy-6-methylpyran-2-one is sourced from PubChem (CID 38357489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).