(5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one

C18H18O2 — CID 101431679

IUPAC(5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one
SMILESC=C(C)C1=C(C)C(=O)OC/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H18O2/c1-13(2)17-14(3)18(19)20-12-16(17)11-7-10-15-8-5-4-6-9-15/h4-11H,1,12H2,2-3H3/b10-7+,16-11+
InChIKeyRYBDFYBAQSNQIE-RWZRJOGJSA-N
MW266.34 g/mol
LogP4.08
Rot. Bonds3

About (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one

(5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one (PubChem CID 101431679) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one
PubChem CID101431679
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one
SMILESC=C(C)C1=C(C)C(=O)OC/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H18O2/c1-13(2)17-14(3)18(19)20-12-16(17)11-7-10-15-8-5-4-6-9-15/h4-11H,1,12H2,2-3H3/b10-7+,16-11+
InChIKeyRYBDFYBAQSNQIE-RWZRJOGJSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
(2E,7E)-2,7-bis[(Z)-3-phenylprop-2-enylidene]cycloheptan-1-one
CID 92533937
ethyl 3,5-dicinnamylidene-4-oxopiperidine-1-carboxylate
CID 1283579
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
(3E)-4-benzylimino-3-[(E)-3-phenylprop-2-enylidene]oxolan-2-one
CID 11426650
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
3-[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]-2H-furan-5-one
CID 102350354
2-chloroethenylbenzene;2-methylprop-1-ene
CID 174753636
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(1S,3E,5R)-3-[(E)-3-phenylprop-2-enylidene]-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 139204723

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one?
The IUPAC name of (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one (CID 101431679) is (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one.
What is the SMILES notation for (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one?
The canonical SMILES for (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one is C=C(C)C1=C(C)C(=O)OC/C1=C\C=C\c1ccccc1.
What is the InChIKey of (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one?
The InChIKey is RYBDFYBAQSNQIE-RWZRJOGJSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(2)17-14(3)18(19)20-12-16(17)11-7-10-15-8-5-4-6-9-15/h4-11H,1,12H2,2-3H3/b10-7+,16-11+.
What are the key properties of (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one?
(5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one has a molecular weight of 266.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-4-prop-1-en-2-ylpyran-2-one is sourced from PubChem (CID 101431679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).