3-methyl-1-nonylpyrrolidine-2,5-dione

C14H25NO2 — CID 512843

IUPAC3-methyl-1-nonylpyrrolidine-2,5-dione
SMILESCCCCCCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h12H,3-11H2,1-2H3
InChIKeyUNPZOBDXMMCTQO-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.13
Rot. Bonds8

About 3-methyl-1-nonylpyrrolidine-2,5-dione

3-methyl-1-nonylpyrrolidine-2,5-dione (PubChem CID 512843) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-1-nonylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-nonylpyrrolidine-2,5-dione
PubChem CID512843
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-methyl-1-nonylpyrrolidine-2,5-dione
SMILESCCCCCCCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h12H,3-11H2,1-2H3
InChIKeyUNPZOBDXMMCTQO-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-methyl-1-nonylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-nonylpyrrolidine-2,5-dione (CID 512843) is 3-methyl-1-nonylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-nonylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-nonylpyrrolidine-2,5-dione is CCCCCCCCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-nonylpyrrolidine-2,5-dione?
The InChIKey is UNPZOBDXMMCTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h12H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-nonylpyrrolidine-2,5-dione?
3-methyl-1-nonylpyrrolidine-2,5-dione has a molecular weight of 239.36 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-nonylpyrrolidine-2,5-dione is sourced from PubChem (CID 512843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).