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62295-16-3 molecular structure
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(3Z)-1-ethyl-3-hydrazinylidene-2,3-dihydro-1H-indol-2-one

ChemBase ID: 230588
Molecular Formular: C10H11N3O
Molecular Mass: 189.21384
Monoisotopic Mass: 189.09021199
SMILES and InChIs

SMILES:
C\1(=N/N)/C(=O)N(c2c1cccc2)CC
Canonical SMILES:
CCN1c2ccccc2/C(=N/N)/C1=O
InChI:
InChI=1S/C10H11N3O/c1-2-13-8-6-4-3-5-7(8)9(12-11)10(13)14/h3-6H,2,11H2,1H3/b12-9-
InChIKey:
OWZFTGKVBIKFDD-XFXZXTDPSA-N

Cite this record

CBID:230588 http://www.chembase.cn/molecule-230588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3Z)-1-ethyl-3-hydrazinylidene-2,3-dihydro-1H-indol-2-one
IUPAC Traditional name
(3Z)-1-ethyl-3-hydrazinylideneindol-2-one
Synonyms
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CAS Number
62295-16-3
MDL Number
MFCD03965291
PubChem SID
164286498
PubChem CID
6903616

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-03842 external link Add to cart Please log in.
Data Source Data ID
PubChem 6903616 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.527533  H Acceptors
H Donor LogD (pH = 5.5) 0.8885976 
LogD (pH = 7.4) 0.8886033  Log P 0.8886034 
Molar Refractivity 54.8807 cm3 Polarizability 20.295856 Å3
Polar Surface Area 58.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.56 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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