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56477-59-9 molecular structure
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1-(naphthalen-1-yl)cyclopropane-1-carbonitrile

ChemBase ID: 799062
Molecular Formular: C14H11N
Molecular Mass: 193.24384
Monoisotopic Mass: 193.08914936
SMILES and InChIs

SMILES:
C1(CC1)(C#N)c1c2ccccc2ccc1
Canonical SMILES:
N#CC1(CC1)c1cccc2c1cccc2
InChI:
InChI=1S/C14H11N/c15-10-14(8-9-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-9H2
InChIKey:
KZFLDUJYFFFLRT-UHFFFAOYSA-N

Cite this record

CBID:799062 http://www.chembase.cn/molecule-799062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(naphthalen-1-yl)cyclopropane-1-carbonitrile
IUPAC Traditional name
1-(naphthalen-1-yl)cyclopropane-1-carbonitrile
Synonyms
1-(naphthalen-1-yl)cyclopropanecarbonitrile
CAS Number
56477-59-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13250 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13250 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2936945  LogD (pH = 7.4) 3.2936945 
Log P 3.2936945  Molar Refractivity 60.0684 cm3
Polarizability 24.423422 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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