1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione

C16H20N2O3 — CID 6458645

IUPAC1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCc1ccc(CN2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)11-18-15(19)10-14(16(18)20)17-6-8-21-9-7-17/h2-5,14H,6-11H2,1H3
InChIKeyQXLMIQHNNNGYBE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.95
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione

1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 6458645) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID6458645
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCc1ccc(CN2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)11-18-15(19)10-14(16(18)20)17-6-8-21-9-7-17/h2-5,14H,6-11H2,1H3
InChIKeyQXLMIQHNNNGYBE-UHFFFAOYSA-N
XLogP0.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 6458645) is 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione is Cc1ccc(CN2C(=O)CC(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is QXLMIQHNNNGYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)11-18-15(19)10-14(16(18)20)17-6-8-21-9-7-17/h2-5,14H,6-11H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 6458645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).