1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one

C19H25NO4 — CID 69178637

IUPAC1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one
SMILESCC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(O)C2O)cc1
InChIInChI=1S/C19H25NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,13,19,22-23H,10-11H2,1-4H3
InChIKeyRXXXEUDUCIPSLZ-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.38
Rot. Bonds6

About 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one

1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one (PubChem CID 69178637) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one
PubChem CID69178637
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one
SMILESCC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(O)C2O)cc1
InChIInChI=1S/C19H25NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,13,19,22-23H,10-11H2,1-4H3
InChIKeyRXXXEUDUCIPSLZ-UHFFFAOYSA-N
XLogP3.38
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
CID 44386193
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
3-isobutyl-4-(4-(3-methyl-2-butenyloxy)phenyl)-1H-pyrrol-1-ol-2,5-dione
CID 641729
RG 6866
CID 129232
N-hydroxy-3-[1-[2-(4-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11150862
N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11370567
2-(4-Benzyloxy-phenyl)-N-hydroxy-N-phenethyl-acetamide
CID 14406194
2-(4-Benzyloxy-phenyl)-N-hydroxy-N-(3-phenyl-propyl)-acetamide
CID 14406197
N-Hydroxy-4-(4-methoxy-phenyl)-N-phenethyl-butyramide
CID 14406214
2-(4-Benzyloxy-phenyl)-N-hydroxy-N-propyl-acetamide
CID 14406216
(E)-3-[1-[2-(4-ethoxyphenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846277
Antrocinnamomin A
CID 24970517

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one?
The IUPAC name of 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one (CID 69178637) is 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one is CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(O)C2O)cc1.
What is the InChIKey of 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one?
The InChIKey is RXXXEUDUCIPSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,13,19,22-23H,10-11H2,1-4H3.
What are the key properties of 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one?
1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one has a molecular weight of 331.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 69178637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).