1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione

C13H21NO3 — CID 129291336

IUPAC1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
SMILESCC(C)C(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H21NO3/c1-10(2)11(15)6-4-3-5-9-14-12(16)7-8-13(14)17/h10H,3-9H2,1-2H3
InChIKeyKBVJBIDMHUTMTF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.92
Rot. Bonds7

About 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione

1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione (PubChem CID 129291336) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
PubChem CID129291336
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
SMILESCC(C)C(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H21NO3/c1-10(2)11(15)6-4-3-5-9-14-12(16)7-8-13(14)17/h10H,3-9H2,1-2H3
InChIKeyKBVJBIDMHUTMTF-UHFFFAOYSA-N
XLogP1.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione (CID 129291336) is 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione is CC(C)C(=O)CCCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione?
The InChIKey is KBVJBIDMHUTMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(2)11(15)6-4-3-5-9-14-12(16)7-8-13(14)17/h10H,3-9H2,1-2H3.
What are the key properties of 1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione?
1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione has a molecular weight of 239.31 g/mol, XLogP of 1.92, 7 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)pyrrolidine-2,5-dione is sourced from PubChem (CID 129291336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).