5,5-dimethylpyrrolidine-2,4-dione

C6H9NO2 — CID 13346709

IUPAC5,5-dimethylpyrrolidine-2,4-dione
SMILESCC1(C)NC(=O)CC1=O
InChIInChI=1S/C6H9NO2/c1-6(2)4(8)3-5(9)7-6/h3H2,1-2H3,(H,7,9)
InChIKeyVZRDHBPVJBGCAX-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.15
Rot. Bonds

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

5,5-dimethylpyrrolidine-2,4-dione (PubChem CID 13346709) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5,5-dimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethylpyrrolidine-2,4-dione
PubChem CID13346709
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5,5-dimethylpyrrolidine-2,4-dione
SMILESCC1(C)NC(=O)CC1=O
InChIInChI=1S/C6H9NO2/c1-6(2)4(8)3-5(9)7-6/h3H2,1-2H3,(H,7,9)
InChIKeyVZRDHBPVJBGCAX-UHFFFAOYSA-N
XLogP-0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
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 5,5-dimethylpyrrolidine-2,4-dione?
The IUPAC name of 5,5-dimethylpyrrolidine-2,4-dione (CID 13346709) is 5,5-dimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethylpyrrolidine-2,4-dione?
The canonical SMILES for 5,5-dimethylpyrrolidine-2,4-dione is CC1(C)NC(=O)CC1=O.
What is the InChIKey of 5,5-dimethylpyrrolidine-2,4-dione?
The InChIKey is VZRDHBPVJBGCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-6(2)4(8)3-5(9)7-6/h3H2,1-2H3,(H,7,9).
What are the key properties of 5,5-dimethylpyrrolidine-2,4-dione?
5,5-dimethylpyrrolidine-2,4-dione has a molecular weight of 127.14 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 13346709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).