(5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one

C17H19NO3 — CID 54733257

IUPAC(5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one
SMILESC=C(C)COc1cccc(C2=C(O)/C(=C\CC)NC2=O)c1
InChIInChI=1S/C17H19NO3/c1-4-6-14-16(19)15(17(20)18-14)12-7-5-8-13(9-12)21-10-11(2)3/h5-9,19H,2,4,10H2,1,3H3,(H,18,20)/b14-6+
InChIKeyMGBICGBXUSHXHM-MKMNVTDBSA-N
MW285.34 g/mol
LogP3.33
Rot. Bonds5

About (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one

(5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one (PubChem CID 54733257) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one.

Molecular Properties

Compound Name(5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one
PubChem CID54733257
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one
SMILESC=C(C)COc1cccc(C2=C(O)/C(=C\CC)NC2=O)c1
InChIInChI=1S/C17H19NO3/c1-4-6-14-16(19)15(17(20)18-14)12-7-5-8-13(9-12)21-10-11(2)3/h5-9,19H,2,4,10H2,1,3H3,(H,18,20)/b14-6+
InChIKeyMGBICGBXUSHXHM-MKMNVTDBSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one?
The IUPAC name of (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one (CID 54733257) is (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one.
What is the SMILES notation for (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one?
The canonical SMILES for (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one is C=C(C)COc1cccc(C2=C(O)/C(=C\CC)NC2=O)c1.
What is the InChIKey of (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one?
The InChIKey is MGBICGBXUSHXHM-MKMNVTDBSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-6-14-16(19)15(17(20)18-14)12-7-5-8-13(9-12)21-10-11(2)3/h5-9,19H,2,4,10H2,1,3H3,(H,18,20)/b14-6+.
What are the key properties of (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one?
(5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one has a molecular weight of 285.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-hydroxy-3-[3-(2-methylprop-2-enoxy)phenyl]-5-propylidenepyrrol-2-one is sourced from PubChem (CID 54733257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).