Home > Compound List > Compound details
61748-86-5 molecular structure
click picture or here to close

3,3,4-trimethylpyrrolidine-2,5-dione

ChemBase ID: 145169
Molecular Formular: C7H11NO2
Molecular Mass: 141.16774
Monoisotopic Mass: 141.0789786
SMILES and InChIs

SMILES:
CC1C(=O)NC(=O)C1(C)C
Canonical SMILES:
O=C1NC(=O)C(C1C)(C)C
InChI:
InChI=1S/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10)
InChIKey:
SUPYQTKKYLUOBW-UHFFFAOYSA-N

Cite this record

CBID:145169 http://www.chembase.cn/molecule-145169.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3,4-trimethylpyrrolidine-2,5-dione
IUPAC Traditional name
3,3,4-trimethylpyrrolidine-2,5-dione
Synonyms
2,2,3-Trimethylsuccinimide
α,α-Dimethyl-β-methylsuccinimide
2,2,3-三甲基琥珀酰亚胺
α,α-二甲基-β-甲基琥珀酰亚胺
CAS Number
61748-86-5
EC Number
262-956-7
MDL Number
MFCD00005497
PubChem SID
24849752
162239379
PubChem CID
550809

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
163503 external link Add to cart Please log in.
Data Source Data ID
PubChem 550809 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.996227  H Acceptors
H Donor LogD (pH = 5.5) 0.6485139 
LogD (pH = 7.4) 0.6484065  Log P 0.6485153 
Molar Refractivity 35.9314 cm3 Polarizability 14.211085 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
119-121 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C7H11NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 163503 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle