Home > Compound List > Compound details
1551-16-2 molecular structure
click picture or here to close

3-ethyl-1H-pyrrole

ChemBase ID: 810533
Molecular Formular: C6H9N
Molecular Mass: 95.14236
Monoisotopic Mass: 95.07349929
SMILES and InChIs

SMILES:
[nH]1cc(cc1)CC
Canonical SMILES:
CCc1c[nH]cc1
InChI:
InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h3-5,7H,2H2,1H3
InChIKey:
RLLBWIDEGAIFPI-UHFFFAOYSA-N

Cite this record

CBID:810533 http://www.chembase.cn/molecule-810533.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethyl-1H-pyrrole
IUPAC Traditional name
3-ethyl-1H-pyrrole
Synonyms
3-ETHYL-1H-PYRROLE
CAS Number
1551-16-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29214 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29214 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.058683  H Acceptors
H Donor LogD (pH = 5.5) 2.01112 
LogD (pH = 7.4) 2.01112  Log P 2.01112 
Molar Refractivity 30.459 cm3 Polarizability 11.655758 Å3
Polar Surface Area 15.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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