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MFCD09702225 molecular structure
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2-amino-5-ethyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxamide

ChemBase ID: 280213
Molecular Formular: C7H11N3O2
Molecular Mass: 169.18114
Monoisotopic Mass: 169.08512661
SMILES and InChIs

SMILES:
C1(=C(NC(C1=O)CC)N)C(=O)N
Canonical SMILES:
CCC1NC(=C(C1=O)C(=O)N)N
InChI:
InChI=1S/C7H11N3O2/c1-2-3-5(11)4(7(9)12)6(8)10-3/h3,10H,2,8H2,1H3,(H2,9,12)
InChIKey:
UQFFEKDNNLEUGX-UHFFFAOYSA-N

Cite this record

CBID:280213 http://www.chembase.cn/molecule-280213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-ethyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxamide
IUPAC Traditional name
2-amino-5-ethyl-4-oxo-1,5-dihydropyrrole-3-carboxamide
Synonyms
2-amino-5-ethyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxamide
MDL Number
MFCD09702225
PubChem SID
180665744
PubChem CID
16228864

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87303 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228864 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.6684694  H Acceptors
H Donor LogD (pH = 5.5) -0.94399035 
LogD (pH = 7.4) -2.442043  Log P -0.7186234 
Molar Refractivity 52.5436 cm3 Polarizability 16.28176 Å3
Polar Surface Area 98.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.471 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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