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

C17H16N2O4 — CID 3740692

IUPAC3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C17H16N2O4/c1-23-15-10-6-5-9-13(15)18-16(20)11-14(17(18)21)19(22)12-7-3-2-4-8-12/h2-10,14,22H,11H2,1H3
InChIKeyMRQTVZBGUZCLOQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.22
Rot. Bonds4

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

3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3740692) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID3740692
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O
InChIInChI=1S/C17H16N2O4/c1-23-15-10-6-5-9-13(15)18-16(20)11-14(17(18)21)19(22)12-7-3-2-4-8-12/h2-10,14,22H,11H2,1H3
InChIKeyMRQTVZBGUZCLOQ-UHFFFAOYSA-N
XLogP2.22
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione (CID 3740692) is 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccccc1N1C(=O)CC(N(O)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is MRQTVZBGUZCLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-23-15-10-6-5-9-13(15)18-16(20)11-14(17(18)21)19(22)12-7-3-2-4-8-12/h2-10,14,22H,11H2,1H3.
What are the key properties of 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 312.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-hydroxyanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3740692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).