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113143-56-9 molecular structure
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N'-[(2-methyl-1H-indol-3-yl)methylidene]ethoxycarbohydrazide

ChemBase ID: 813556
Molecular Formular: C13H15N3O2
Molecular Mass: 245.2771
Monoisotopic Mass: 245.11642674
SMILES and InChIs

SMILES:
N(N=Cc1c([nH]c2c1cccc2)C)C(=O)OCC
Canonical SMILES:
CCOC(=O)NN=Cc1c(C)[nH]c2c1cccc2
InChI:
InChI=1S/C13H15N3O2/c1-3-18-13(17)16-14-8-11-9(2)15-12-7-5-4-6-10(11)12/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKey:
CDUOVHDUHPJNPD-UHFFFAOYSA-N

Cite this record

CBID:813556 http://www.chembase.cn/molecule-813556.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-[(2-methyl-1H-indol-3-yl)methylidene]ethoxycarbohydrazide
IUPAC Traditional name
N'-[(2-methyl-1H-indol-3-yl)methylidene]ethoxycarbohydrazide
Synonyms
ETHYL 2-((2-METHYL-1H-INDOL-3-YL)METHYLENE)HYDRAZINECARBOXYLATE
CAS Number
113143-56-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35334 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35334 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.650008  H Acceptors
H Donor LogD (pH = 5.5) 2.383341 
LogD (pH = 7.4) 2.3831658  Log P 2.3833828 
Molar Refractivity 70.1734 cm3 Polarizability 27.276724 Å3
Polar Surface Area 66.48 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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