1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione

C16H27NO3 — CID 59713237

IUPAC1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C(=O)CCCCCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C16H27NO3/c1-11(2)13-10-15(19)17(16(13)20)9-7-5-6-8-14(18)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyXYLRBQLAGJLPEJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.80
Rot. Bonds8

About 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione

1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 59713237) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID59713237
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C(=O)CCCCCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C16H27NO3/c1-11(2)13-10-15(19)17(16(13)20)9-7-5-6-8-14(18)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyXYLRBQLAGJLPEJ-UHFFFAOYSA-N
XLogP2.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione 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-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione (CID 59713237) is 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C(=O)CCCCCN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is XYLRBQLAGJLPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11(2)13-10-15(19)17(16(13)20)9-7-5-6-8-14(18)12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione?
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 59713237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).