Home > Compound List > Compound details
10087-65-7 molecular structure
click picture or here to close

2-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyrrole

ChemBase ID: 44774
Molecular Formular: C8H10N2
Molecular Mass: 134.1784
Monoisotopic Mass: 134.08439833
SMILES and InChIs

SMILES:
c1(C2=NCCC2)[nH]ccc1
Canonical SMILES:
C1CN=C(C1)c1ccc[nH]1
InChI:
InChI=1S/C8H10N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,5,9H,2,4,6H2
InChIKey:
DTZKPTFBAXPYOT-UHFFFAOYSA-N

Cite this record

CBID:44774 http://www.chembase.cn/molecule-44774.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyrrole
IUPAC Traditional name
2-(4,5-dihydro-3H-pyrrol-2-yl)-1H-pyrrole
Synonyms
2-(3,4-Dihydro-2H-pyrrol-5-yl)-1H-pyrrole
2-(3,4-Dihydro-2H-pyrrol-5-yl)-1H-pyrrole
3,4-Dihydro-5-(1H-pyrrol-2-yl)-2H-pyrrole
4',5'-Dihydro-1H,3'H-2,2'-bipyrrole
CAS Number
10087-65-7
MDL Number
MFCD00030437
PubChem SID
162049537
PubChem CID
5357779

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5357779 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.777237  H Acceptors
H Donor LogD (pH = 5.5) -0.3432089 
LogD (pH = 7.4) 0.89264137  Log P 0.9941191 
Molar Refractivity 40.9462 cm3 Polarizability 15.392816 Å3
Polar Surface Area 28.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
162-166°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
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