3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione

C17H16N2O3 — CID 662172

IUPAC3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)c1
InChIInChI=1S/C17H16N2O3/c1-12-6-5-9-14(10-12)18-16(20)11-15(17(18)21)19(22)13-7-3-2-4-8-13/h2-10,15,22H,11H2,1H3
InChIKeyIMVRSNXPBSKQLR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.52
Rot. Bonds3

About 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione

3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 662172) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID662172
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)c1
InChIInChI=1S/C17H16N2O3/c1-12-6-5-9-14(10-12)18-16(20)11-15(17(18)21)19(22)13-7-3-2-4-8-13/h2-10,15,22H,11H2,1H3
InChIKeyIMVRSNXPBSKQLR-UHFFFAOYSA-N
XLogP2.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-oxo-2-(2,2,4-trimethyl-1(2H)-quinolinyl)ethyl]-2,5-pyrrolidinedione
CID 713603
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3719436
1-(3-Methylphenyl)-3-morpholin-4-ylazolidine-2,5-dione
CID 2827709
1-Benzyl-3-(hydroxyanilino)-2,5-pyrrolidinedione
CID 2837843
1-(m-Trifluorophenyl)piperazine, 4
CID 11292754
1-(2-Fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2867506
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2,5-pyrrolidinedione
CID 2927700
1-Benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
3-(2,3-dihydro-1H-indol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
3,3'-(Hydroxyazanediyl)bis(1-(p-tolyl)pyrrolidine-2,5-dione)
CID 662190
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-hydroxyhexanamide
CID 664797

Frequently Asked Questions

What is the IUPAC name of 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 662172) is 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)c1.
What is the InChIKey of 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is IMVRSNXPBSKQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-6-5-9-14(10-12)18-16(20)11-15(17(18)21)19(22)13-7-3-2-4-8-13/h2-10,15,22H,11H2,1H3.
What are the key properties of 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 296.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 662172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).