Home > Compound List > Compound details
150114-41-3 molecular structure
click picture or here to close

2-(1-methyl-1H-indol-3-yl)acetamide

ChemBase ID: 53654
Molecular Formular: C11H12N2O
Molecular Mass: 188.22578
Monoisotopic Mass: 188.09496301
SMILES and InChIs

SMILES:
c1(cn(c2c1cccc2)C)CC(=O)N
Canonical SMILES:
NC(=O)Cc1cn(c2c1cccc2)C
InChI:
InChI=1S/C11H12N2O/c1-13-7-8(6-11(12)14)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H2,12,14)
InChIKey:
CIUCCWRSRUINHE-UHFFFAOYSA-N

Cite this record

CBID:53654 http://www.chembase.cn/molecule-53654.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-methyl-1H-indol-3-yl)acetamide
IUPAC Traditional name
2-(1-methylindol-3-yl)acetamide
Synonyms
2-(1-Methyl-1H-indol-3-yl)acetamide
CAS Number
150114-41-3
MDL Number
MFCD02683891
PubChem SID
162058417
PubChem CID
15357907

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15357907 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.622328  H Acceptors
H Donor LogD (pH = 5.5) 1.1264895 
LogD (pH = 7.4) 1.1264895  Log P 1.1264895 
Molar Refractivity 55.171 cm3 Polarizability 22.20261 Å3
Polar Surface Area 48.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
180 - 182 °C expand Show data source
180-182°C expand Show data source
Storage Warning
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