Home > Compound List > Compound details
MFCD12793581 molecular structure
click picture or here to close

1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)cyclopentane-1-carbonitrile

ChemBase ID: 270765
Molecular Formular: C10H10N2O2
Molecular Mass: 190.1986
Monoisotopic Mass: 190.07422757
SMILES and InChIs

SMILES:
N1(C(=O)C=CC1=O)C1(C#N)CCCC1
Canonical SMILES:
N#CC1(CCCC1)N1C(=O)C=CC1=O
InChI:
InChI=1S/C10H10N2O2/c11-7-10(5-1-2-6-10)12-8(13)3-4-9(12)14/h3-4H,1-2,5-6H2
InChIKey:
SZSNKEUHKRCKMU-UHFFFAOYSA-N

Cite this record

CBID:270765 http://www.chembase.cn/molecule-270765.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)cyclopentane-1-carbonitrile
IUPAC Traditional name
1-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carbonitrile
Synonyms
1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)cyclopentane-1-carbonitrile
MDL Number
MFCD12793581
PubChem SID
164326675
PubChem CID
50990295

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69856 external link Add to cart Please log in.
Data Source Data ID
PubChem 50990295 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.70655435  LogD (pH = 7.4) 0.70655435 
Log P 0.70655435  Molar Refractivity 49.765 cm3
Polarizability 18.624403 Å3 Polar Surface Area 61.17 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
43 - 45°C expand Show data source
Hydrophobicity(logP)
0.403 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