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MFCD09702236 molecular structure
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2-amino-4-oxo-5-phenyl-4,5-dihydro-1H-pyrrole-3-carboxamide

ChemBase ID: 280224
Molecular Formular: C11H11N3O2
Molecular Mass: 217.22394
Monoisotopic Mass: 217.08512661
SMILES and InChIs

SMILES:
C1(=C(NC(C1=O)c1ccccc1)N)C(=O)N
Canonical SMILES:
NC1=C(C(=O)N)C(=O)C(N1)c1ccccc1
InChI:
InChI=1S/C11H11N3O2/c12-10-7(11(13)16)9(15)8(14-10)6-4-2-1-3-5-6/h1-5,8,14H,12H2,(H2,13,16)
InChIKey:
SAIKBLPGOYIOHH-UHFFFAOYSA-N

Cite this record

CBID:280224 http://www.chembase.cn/molecule-280224.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-oxo-5-phenyl-4,5-dihydro-1H-pyrrole-3-carboxamide
IUPAC Traditional name
2-amino-4-oxo-5-phenyl-1,5-dihydropyrrole-3-carboxamide
Synonyms
2-amino-4-oxo-5-phenyl-4,5-dihydro-1H-pyrrole-3-carboxamide
MDL Number
MFCD09702236
PubChem SID
180665755
PubChem CID
16228875

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87314 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228875 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.939613  H Acceptors
H Donor LogD (pH = 5.5) 0.1264335 
LogD (pH = 7.4) 0.1265183  Log P 0.12651938 
Molar Refractivity 67.8836 cm3 Polarizability 22.134491 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)
0.321 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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