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924855-21-0 molecular structure
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4-amino-1-(3-methoxyphenyl)pyrrolidin-2-one

ChemBase ID: 267708
Molecular Formular: C11H14N2O2
Molecular Mass: 206.24106
Monoisotopic Mass: 206.1055277
SMILES and InChIs

SMILES:
N1(C(=O)CC(C1)N)c1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)N1CC(CC1=O)N
InChI:
InChI=1S/C11H14N2O2/c1-15-10-4-2-3-9(6-10)13-7-8(12)5-11(13)14/h2-4,6,8H,5,7,12H2,1H3
InChIKey:
LADVNPJEFLWQTE-UHFFFAOYSA-N

Cite this record

CBID:267708 http://www.chembase.cn/molecule-267708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-1-(3-methoxyphenyl)pyrrolidin-2-one
IUPAC Traditional name
4-amino-1-(3-methoxyphenyl)pyrrolidin-2-one
Synonyms
4-amino-1-(3-methoxyphenyl)pyrrolidin-2-one
4-amino-1-(3-methoxyphenyl)-2-pyrrolidinone
CAS Number
924855-21-0
MDL Number
MFCD08690195
PubChem SID
164323618
PubChem CID
20110378

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 20110378 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.043793  H Acceptors
H Donor LogD (pH = 5.5) -2.8025131 
LogD (pH = 7.4) -1.5360934  Log P 0.118476 
Molar Refractivity 56.2604 cm3 Polarizability 22.20621 Å3
Polar Surface Area 55.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.386 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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