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1177283-06-5 molecular structure
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5-{[(pyridin-4-ylmethyl)amino]methyl}pyrrolidin-2-one

ChemBase ID: 306559
Molecular Formular: C11H15N3O
Molecular Mass: 205.2563
Monoisotopic Mass: 205.12151212
SMILES and InChIs

SMILES:
N1C(=O)CCC1CNCc1ccncc1
Canonical SMILES:
O=C1CCC(N1)CNCc1ccncc1
InChI:
InChI=1S/C11H15N3O/c15-11-2-1-10(14-11)8-13-7-9-3-5-12-6-4-9/h3-6,10,13H,1-2,7-8H2,(H,14,15)
InChIKey:
WUZSNDIVNHOFRO-UHFFFAOYSA-N

Cite this record

CBID:306559 http://www.chembase.cn/molecule-306559.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-{[(pyridin-4-ylmethyl)amino]methyl}pyrrolidin-2-one
IUPAC Traditional name
5-{[(pyridin-4-ylmethyl)amino]methyl}pyrrolidin-2-one
Synonyms
(5S)-5-{[(pyridin-4-ylmethyl)amino]methyl}pyrrolidin-2-one
CAS Number
1177283-06-5
MDL Number
MFCD09802299

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.3549113  LogD (pH = 7.4) -1.8035111 
Log P -0.37744495  Molar Refractivity 57.1082 cm3
Polarizability 22.479803 Å3 Polar Surface Area 54.02 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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