(2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one

C13H14O2 — CID 143279317

IUPAC(2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one
SMILESC=C/C=c1/c(=O)c(C)co/c1=C/C=C\C
InChIInChI=1S/C13H14O2/c1-4-6-8-12-11(7-5-2)13(14)10(3)9-15-12/h4-9H,2H2,1,3H3/b6-4-,11-7+,12-8+
InChIKeyQPMMTOCEAWRNDT-ABPJNWLSSA-N
MW202.25 g/mol
LogP1.27
Rot. Bonds2

About (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one

(2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one (PubChem CID 143279317) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one.

Molecular Properties

Compound Name(2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one
PubChem CID143279317
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one
SMILESC=C/C=c1/c(=O)c(C)co/c1=C/C=C\C
InChIInChI=1S/C13H14O2/c1-4-6-8-12-11(7-5-2)13(14)10(3)9-15-12/h4-9H,2H2,1,3H3/b6-4-,11-7+,12-8+
InChIKeyQPMMTOCEAWRNDT-ABPJNWLSSA-N
XLogP1.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one?
The IUPAC name of (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one (CID 143279317) is (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one.
What is the SMILES notation for (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one?
The canonical SMILES for (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one is C=C/C=c1/c(=O)c(C)co/c1=C/C=C\C.
What is the InChIKey of (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one?
The InChIKey is QPMMTOCEAWRNDT-ABPJNWLSSA-N. The full InChI is InChI=1S/C13H14O2/c1-4-6-8-12-11(7-5-2)13(14)10(3)9-15-12/h4-9H,2H2,1,3H3/b6-4-,11-7+,12-8+.
What are the key properties of (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one?
(2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one has a molecular weight of 202.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenepyran-4-one is sourced from PubChem (CID 143279317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).