4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one

C20H20N2O2 — CID 122447898

IUPAC4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one
SMILESC=C(NCc1cccc(-c2ccccc2)c1)C1=C(O)C(=O)N(C)C1
InChIInChI=1S/C20H20N2O2/c1-14(18-13-22(2)20(24)19(18)23)21-12-15-7-6-10-17(11-15)16-8-4-3-5-9-16/h3-11,21,23H,1,12-13H2,2H3
InChIKeyDATIUYMUEAONHU-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.24
Rot. Bonds5

About 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one

4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one (PubChem CID 122447898) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one
PubChem CID122447898
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one
SMILESC=C(NCc1cccc(-c2ccccc2)c1)C1=C(O)C(=O)N(C)C1
InChIInChI=1S/C20H20N2O2/c1-14(18-13-22(2)20(24)19(18)23)21-12-15-7-6-10-17(11-15)16-8-4-3-5-9-16/h3-11,21,23H,1,12-13H2,2H3
InChIKeyDATIUYMUEAONHU-UHFFFAOYSA-N
XLogP3.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90336602
4-hydroxy-1-methyl-5-oxo-N-[[3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-2H-pyrrole-3-carboxamide
CID 90330697
1-methyl-4,5-dioxo-N-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 123165000
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123724704
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330559
methyl 3-[3-[[(1-methyl-4,5-dioxopyrrolidine-3-carbonyl)amino]methyl]phenyl]benzoate
CID 123379261
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[3-[4-(dimethylcarbamoyl)phenyl]phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123320552
4-hydroxy-N-[[3-(2-methoxy-3-pyridinyl)phenyl]methyl]-1-methyl-5-methylidene-2H-pyrrole-3-carboxamide
CID 122447901
N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123553021

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one (CID 122447898) is 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one is C=C(NCc1cccc(-c2ccccc2)c1)C1=C(O)C(=O)N(C)C1.
What is the InChIKey of 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one?
The InChIKey is DATIUYMUEAONHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(18-13-22(2)20(24)19(18)23)21-12-15-7-6-10-17(11-15)16-8-4-3-5-9-16/h3-11,21,23H,1,12-13H2,2H3.
What are the key properties of 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one?
4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one has a molecular weight of 320.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[1-[(3-phenylphenyl)methylamino]ethenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 122447898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).