Home > Compound List > Compound details
883526-76-9 molecular structure
click picture or here to close

1,5-dimethyl-1H-indole-2-carbaldehyde

ChemBase ID: 15625
Molecular Formular: C11H11NO
Molecular Mass: 173.21114
Monoisotopic Mass: 173.08406398
SMILES and InChIs

SMILES:
c1c(cc2c(c1)n(c(c2)C=O)C)C
Canonical SMILES:
O=Cc1cc2c(n1C)ccc(c2)C
InChI:
InChI=1S/C11H11NO/c1-8-3-4-11-9(5-8)6-10(7-13)12(11)2/h3-7H,1-2H3
InChIKey:
JCSJJINMAAPHJV-UHFFFAOYSA-N

Cite this record

CBID:15625 http://www.chembase.cn/molecule-15625.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-dimethyl-1H-indole-2-carbaldehyde
IUPAC Traditional name
1,5-dimethylindole-2-carbaldehyde
Synonyms
1,5-Dimethyl-1H-indole-2-carbaldehyde
1,5-Dimethyl-1H-indole-2-carboxaldehyde
CAS Number
883526-76-9
MDL Number
MFCD06800611
PubChem SID
160978932
PubChem CID
23004693

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23004693 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4416087  LogD (pH = 7.4) 2.4416087 
Log P 2.4416087  Molar Refractivity 53.5439 cm3
Polarizability 21.001202 Å3 Polar Surface Area 22.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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