(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one

C13H13NO2 — CID 67780587

IUPAC(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one
SMILESCC/C=C1\NC(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C13H13NO2/c1-2-6-10-12(15)11(13(16)14-10)9-7-4-3-5-8-9/h3-8,15H,2H2,1H3,(H,14,16)/b10-6-
InChIKeyHQCQUKKQJSXMAE-POHAHGRESA-N
MW215.25 g/mol
LogP2.38
Rot. Bonds2

About (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one

(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one (PubChem CID 67780587) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one.

Molecular Properties

Compound Name(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one
PubChem CID67780587
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one
SMILESCC/C=C1\NC(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C13H13NO2/c1-2-6-10-12(15)11(13(16)14-10)9-7-4-3-5-8-9/h3-8,15H,2H2,1H3,(H,14,16)/b10-6-
InChIKeyHQCQUKKQJSXMAE-POHAHGRESA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one?
The IUPAC name of (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one (CID 67780587) is (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one.
What is the SMILES notation for (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one?
The canonical SMILES for (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one is CC/C=C1\NC(=O)C(c2ccccc2)=C1O.
What is the InChIKey of (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one?
The InChIKey is HQCQUKKQJSXMAE-POHAHGRESA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-6-10-12(15)11(13(16)14-10)9-7-4-3-5-8-9/h3-8,15H,2H2,1H3,(H,14,16)/b10-6-.
What are the key properties of (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one?
(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one is sourced from PubChem (CID 67780587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).