2,2-Dimethylsuccinimide

C6H9NO2 — CID 225678

IUPAC3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(CC(=O)NC1=O)C
InChIInChI=1S/C6H9NO2/c1-6(2)3-4(8)7-5(6)9/h3H2,1-2H3,(H,7,8,9)
InChIKeyJVQHRYVXOWBSNS-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.00
Rot. Bonds

About 2,2-Dimethylsuccinimide

2,2-Dimethylsuccinimide (PubChem CID 225678) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name2,2-Dimethylsuccinimide
PubChem CID225678
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(CC(=O)NC1=O)C
InChIInChI=1S/C6H9NO2/c1-6(2)3-4(8)7-5(6)9/h3H2,1-2H3,(H,7,8,9)
InChIKeyJVQHRYVXOWBSNS-UHFFFAOYSA-N
XLogP0.00
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity172

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethosuximide
CID 3291
Succinimide
CID 11439
2,2,3,3-Tetramethylsuccinimide
CID 72824
3-Methylpyrrolidine-2,5-dione
CID 138540
(R)-Ethosuximide
CID 6603844
3,3,4-Trimethylpyrrolidine-2,5-dione
CID 550809
3,4-Dimethylpyrrolidine-2,5-dione
CID 3550866
3,3-Diethylpyrrolidine-2,5-dione
CID 222690
(S)-Ethosuximide
CID 10630591
2,5-Pyrrolidinedione, 3-methyl-, (R)-
CID 12400438
(3R,4R)-3,4-dimethylpyrrolidine-2,5-dione
CID 337234
3-Methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione
CID 46781517

Frequently Asked Questions

What is the IUPAC name of 2,2-Dimethylsuccinimide?
The IUPAC name of 2,2-Dimethylsuccinimide (CID 225678) is 3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 2,2-Dimethylsuccinimide?
The canonical SMILES for 2,2-Dimethylsuccinimide is CC1(CC(=O)NC1=O)C.
What is the InChIKey of 2,2-Dimethylsuccinimide?
The InChIKey is JVQHRYVXOWBSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-6(2)3-4(8)7-5(6)9/h3H2,1-2H3,(H,7,8,9).
What are the key properties of 2,2-Dimethylsuccinimide?
2,2-Dimethylsuccinimide has a molecular weight of 127.14 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-Dimethylsuccinimide is sourced from PubChem (CID 225678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).