1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione

C15H13N3O3 — CID 15318338

IUPAC1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione
SMILESCN1C(=O)CC(O/N=C/c2ccc3ccccc3n2)C1=O
InChIInChI=1S/C15H13N3O3/c1-18-14(19)8-13(15(18)20)21-16-9-11-7-6-10-4-2-3-5-12(10)17-11/h2-7,9,13H,8H2,1H3/b16-9+
InChIKeySKYYWANWNJRUCR-CXUHLZMHSA-N
MW283.29 g/mol
LogP1.34
Rot. Bonds3

About 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione

1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione (PubChem CID 15318338) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione
PubChem CID15318338
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione
SMILESCN1C(=O)CC(O/N=C/c2ccc3ccccc3n2)C1=O
InChIInChI=1S/C15H13N3O3/c1-18-14(19)8-13(15(18)20)21-16-9-11-7-6-10-4-2-3-5-12(10)17-11/h2-7,9,13H,8H2,1H3/b16-9+
InChIKeySKYYWANWNJRUCR-CXUHLZMHSA-N
XLogP1.34
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione (CID 15318338) is 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione is CN1C(=O)CC(O/N=C/c2ccc3ccccc3n2)C1=O.
What is the InChIKey of 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione?
The InChIKey is SKYYWANWNJRUCR-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-18-14(19)8-13(15(18)20)21-16-9-11-7-6-10-4-2-3-5-12(10)17-11/h2-7,9,13H,8H2,1H3/b16-9+.
What are the key properties of 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione?
1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione has a molecular weight of 283.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione is sourced from PubChem (CID 15318338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).