Home > Compound List > Compound details
368429-72-5 molecular structure
click picture or here to close

1-benzyl-5-oxopyrrolidine-3-carbohydrazide

ChemBase ID: 23634
Molecular Formular: C12H15N3O2
Molecular Mass: 233.2664
Monoisotopic Mass: 233.11642674
SMILES and InChIs

SMILES:
N1(C(=O)CC(C1)C(=O)NN)Cc1ccccc1
Canonical SMILES:
NNC(=O)C1CN(C(=O)C1)Cc1ccccc1
InChI:
InChI=1S/C12H15N3O2/c13-14-12(17)10-6-11(16)15(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)
InChIKey:
XHZSIPQGQQCXRH-UHFFFAOYSA-N

Cite this record

CBID:23634 http://www.chembase.cn/molecule-23634.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-5-oxopyrrolidine-3-carbohydrazide
IUPAC Traditional name
1-benzyl-5-oxopyrrolidine-3-carbohydrazide
Synonyms
1-Benzyl-5-oxo-3-pyrrolidinecarbohydrazide
CAS Number
368429-72-5
MDL Number
MFCD03001212
PubChem SID
160986941
PubChem CID
2764126

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2764126 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.757823  H Acceptors
H Donor LogD (pH = 5.5) -0.35748032 
LogD (pH = 7.4) -0.35624397  Log P -0.35622644 
Molar Refractivity 64.1594 cm3 Polarizability 24.500399 Å3
Polar Surface Area 75.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
154 - 156 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

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