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20386-22-5 molecular structure
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1-aminopyrrolidin-2-one

ChemBase ID: 117989
Molecular Formular: C4H8N2O
Molecular Mass: 100.11912
Monoisotopic Mass: 100.06366289
SMILES and InChIs

SMILES:
N1(C(=O)CCC1)N
Canonical SMILES:
O=C1CCCN1N
InChI:
InChI=1S/C4H8N2O/c5-6-3-1-2-4(6)7/h1-3,5H2
InChIKey:
LSROBYZLBGODRN-UHFFFAOYSA-N

Cite this record

CBID:117989 http://www.chembase.cn/molecule-117989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-aminopyrrolidin-2-one
IUPAC Traditional name
1-aminopyrrolidin-2-one
Synonyms
1-aminopyrrolidin-2-one hydrochloride
1-aminopyrrolidin-2-one
CAS Number
20386-22-5
MDL Number
MFCD07786587
MFCD09258892
PubChem SID
162089738
PubChem CID
12494974

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12494974 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.88494724  LogD (pH = 7.4) -0.8761977 
Log P -0.876085  Molar Refractivity 26.742 cm3
Polarizability 10.032818 Å3 Polar Surface Area 46.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
47 - 49°C expand Show data source
Partition Coefficient
-0.978 expand Show data source
Hydrophobicity(logP)
-1.233 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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