1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide

C16H24N2O6 — CID 155721292

IUPAC1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
SMILESCN(CCCCCC=O)C(=O)/C=C\C=O.CON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO3.C5H7NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-9-6-4(7)2-3-5(6)8/h6-7,9-10H,2-5,8H2,1H3;2-3H2,1H3/b7-6-;
InChIKeyQNFMTWMYUUFVKX-NAFXZHHSSA-N
MW340.38 g/mol
LogP0.66
Rot. Bonds9

About 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide

1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide (PubChem CID 155721292) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide.

Molecular Properties

Compound Name1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
PubChem CID155721292
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
SMILESCN(CCCCCC=O)C(=O)/C=C\C=O.CON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO3.C5H7NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-9-6-4(7)2-3-5(6)8/h6-7,9-10H,2-5,8H2,1H3;2-3H2,1H3/b7-6-;
InChIKeyQNFMTWMYUUFVKX-NAFXZHHSSA-N
XLogP0.66
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The IUPAC name of 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide (CID 155721292) is 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide.
What is the SMILES notation for 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The canonical SMILES for 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide is CN(CCCCCC=O)C(=O)/C=C\C=O.CON1C(=O)CCC1=O.
What is the InChIKey of 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The InChIKey is QNFMTWMYUUFVKX-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H17NO3.C5H7NO3/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-9-6-4(7)2-3-5(6)8/h6-7,9-10H,2-5,8H2,1H3;2-3H2,1H3/b7-6-;.
What are the key properties of 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 0.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypyrrolidine-2,5-dione;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide is sourced from PubChem (CID 155721292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).