(3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one

C11H10O3 — CID 144879863

IUPAC(3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one
SMILESC=C/C=c1\c(=C)occ(C(C)=O)c1=O
InChIInChI=1S/C11H10O3/c1-4-5-9-8(3)14-6-10(7(2)12)11(9)13/h4-6H,1,3H2,2H3/b9-5+
InChIKeyCCBJZTGPHSRPAA-WEVVVXLNSA-N
MW190.20 g/mol
LogP0.22
Rot. Bonds2

About (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one

(3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one (PubChem CID 144879863) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one.

Molecular Properties

Compound Name(3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one
PubChem CID144879863
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name(3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one
SMILESC=C/C=c1\c(=C)occ(C(C)=O)c1=O
InChIInChI=1S/C11H10O3/c1-4-5-9-8(3)14-6-10(7(2)12)11(9)13/h4-6H,1,3H2,2H3/b9-5+
InChIKeyCCBJZTGPHSRPAA-WEVVVXLNSA-N
XLogP0.22
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one?
The IUPAC name of (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one (CID 144879863) is (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one.
What is the SMILES notation for (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one?
The canonical SMILES for (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one is C=C/C=c1\c(=C)occ(C(C)=O)c1=O.
What is the InChIKey of (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one?
The InChIKey is CCBJZTGPHSRPAA-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H10O3/c1-4-5-9-8(3)14-6-10(7(2)12)11(9)13/h4-6H,1,3H2,2H3/b9-5+.
What are the key properties of (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one?
(3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-acetyl-2-methylidene-3-prop-2-enylidenepyran-4-one is sourced from PubChem (CID 144879863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).