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70882-10-9 molecular structure
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2-propyl-2,5-dihydro-1H-pyrrole

ChemBase ID: 308357
Molecular Formular: C7H13N
Molecular Mass: 111.18482
Monoisotopic Mass: 111.10479942
SMILES and InChIs

SMILES:
N1C(C=CC1)CCC
Canonical SMILES:
CCCC1NCC=C1
InChI:
InChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h3,5,7-8H,2,4,6H2,1H3
InChIKey:
AOTYBMVEFSQQPM-UHFFFAOYSA-N

Cite this record

CBID:308357 http://www.chembase.cn/molecule-308357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-propyl-2,5-dihydro-1H-pyrrole
IUPAC Traditional name
2-propyl-2,5-dihydro-1H-pyrrole
Synonyms
2-propyl-2,5-dihydro-1H-pyrrole
CAS Number
70882-10-9
MDL Number
MFCD11053960

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6922545  LogD (pH = 7.4) -1.4904555 
Log P 1.5464784  Molar Refractivity 36.5868 cm3
Polarizability 14.213848 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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