1,5-dimethylpyrrolidine-2,4-dione

C6H9NO2 — CID 20669365

IUPAC1,5-dimethylpyrrolidine-2,4-dione
SMILESCC1C(=O)CC(=O)N1C
InChIInChI=1S/C6H9NO2/c1-4-5(8)3-6(9)7(4)2/h4H,3H2,1-2H3
InChIKeyPZQPWDZFFADFKJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.19
Rot. Bonds

About 1,5-dimethylpyrrolidine-2,4-dione

1,5-dimethylpyrrolidine-2,4-dione (PubChem CID 20669365) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1,5-dimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethylpyrrolidine-2,4-dione
PubChem CID20669365
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1,5-dimethylpyrrolidine-2,4-dione
SMILESCC1C(=O)CC(=O)N1C
InChIInChI=1S/C6H9NO2/c1-4-5(8)3-6(9)7(4)2/h4H,3H2,1-2H3
InChIKeyPZQPWDZFFADFKJ-UHFFFAOYSA-N
XLogP-0.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrrolidine-2,4-dione?
The IUPAC name of 1,5-dimethylpyrrolidine-2,4-dione (CID 20669365) is 1,5-dimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 1,5-dimethylpyrrolidine-2,4-dione?
The canonical SMILES for 1,5-dimethylpyrrolidine-2,4-dione is CC1C(=O)CC(=O)N1C.
What is the InChIKey of 1,5-dimethylpyrrolidine-2,4-dione?
The InChIKey is PZQPWDZFFADFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-5(8)3-6(9)7(4)2/h4H,3H2,1-2H3.
What are the key properties of 1,5-dimethylpyrrolidine-2,4-dione?
1,5-dimethylpyrrolidine-2,4-dione has a molecular weight of 127.14 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 20669365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).