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832-83-7 molecular structure
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(3Z)-3-hydrazinylidene-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

ChemBase ID: 230912
Molecular Formular: C11H11N3O
Molecular Mass: 201.22454
Monoisotopic Mass: 201.09021199
SMILES and InChIs

SMILES:
C\1(=N/N)/C(=O)N(c2c1cccc2)CC=C
Canonical SMILES:
C=CCN1c2ccccc2/C(=N/N)/C1=O
InChI:
InChI=1S/C11H11N3O/c1-2-7-14-9-6-4-3-5-8(9)10(13-12)11(14)15/h2-6H,1,7,12H2/b13-10-
InChIKey:
OHYXKZLBQBTAIO-RAXLEYEMSA-N

Cite this record

CBID:230912 http://www.chembase.cn/molecule-230912.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3Z)-3-hydrazinylidene-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
IUPAC Traditional name
(3Z)-3-hydrazinylidene-1-(prop-2-en-1-yl)indol-2-one
Synonyms
1-Allyl-3-hydrazono-1,3-dihydro-indol-2-one
CAS Number
832-83-7
MDL Number
MFCD00614456
PubChem SID
164286822
PubChem CID
6870775

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-04393 external link Add to cart Please log in.
Data Source Data ID
PubChem 6870775 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.527308  H Acceptors
H Donor LogD (pH = 5.5) 1.263039 
LogD (pH = 7.4) 1.2630452  Log P 1.2630453 
Molar Refractivity 59.2948 cm3 Polarizability 21.894363 Å3
Polar Surface Area 58.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
129 - 132°C expand Show data source
Hydrophobicity(logP)
1.805 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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