Home > Compound List > Compound details
MFCD09702215 molecular structure
click picture or here to close

2-amino-4-oxo-1-azaspiro[4.5]dec-2-ene-3-carbonitrile

ChemBase ID: 280199
Molecular Formular: C10H13N3O
Molecular Mass: 191.22972
Monoisotopic Mass: 191.10586205
SMILES and InChIs

SMILES:
C1(=C(NC2(C1=O)CCCCC2)N)C#N
Canonical SMILES:
N#CC1=C(N)NC2(C1=O)CCCCC2
InChI:
InChI=1S/C10H13N3O/c11-6-7-8(14)10(13-9(7)12)4-2-1-3-5-10/h13H,1-5,12H2
InChIKey:
XMZDRJALMPAACD-UHFFFAOYSA-N

Cite this record

CBID:280199 http://www.chembase.cn/molecule-280199.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-oxo-1-azaspiro[4.5]dec-2-ene-3-carbonitrile
IUPAC Traditional name
2-amino-4-oxo-1-azaspiro[4.5]dec-2-ene-3-carbonitrile
Synonyms
2-amino-4-oxo-1-azaspiro[4.5]dec-2-ene-3-carbonitrile
MDL Number
MFCD09702215
PubChem SID
180665730
PubChem CID
16228853

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87289 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228853 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.840012  H Acceptors
H Donor LogD (pH = 5.5) 1.249059 
LogD (pH = 7.4) 1.2490658  Log P 1.2490658 
Molar Refractivity 61.7368 cm3 Polarizability 19.659298 Å3
Polar Surface Area 78.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.084 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