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61012-31-5 molecular structure
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(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

ChemBase ID: 304501
Molecular Formular: C10H11NO3
Molecular Mass: 193.19924
Monoisotopic Mass: 193.07389322
SMILES and InChIs

SMILES:
c1(c(ccc(c1)/C=C/C(=O)N)O)OC
Canonical SMILES:
COc1cc(/C=C/C(=O)N)ccc1O
InChI:
InChI=1S/C10H11NO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3,(H2,11,13)/b5-3+
InChIKey:
YYAJJKZSQWOLIP-HWKANZROSA-N

Cite this record

CBID:304501 http://www.chembase.cn/molecule-304501.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
IUPAC Traditional name
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Synonyms
4-Hydroxy-3-methoxycinnamamide
Ferulamide
CAS Number
61012-31-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00705
Data Source Data ID Price
BioBioPha
BBP00705 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.889193  H Acceptors
H Donor LogD (pH = 5.5) 0.86788845 
LogD (pH = 7.4) 0.8665107  Log P 0.86790705 
Molar Refractivity 53.3262 cm3 Polarizability 20.024813 Å3
Polar Surface Area 72.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Cryst. expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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