Home > Compound List > Compound details
MFCD00778669 molecular structure
click picture or here to close

N-(1-cyclopropylethylidene)hydroxylamine

ChemBase ID: 91430
Molecular Formular: C5H9NO
Molecular Mass: 99.13106
Monoisotopic Mass: 99.06841391
SMILES and InChIs

SMILES:
N(=C(\C1CC1)/C)/O
Canonical SMILES:
O/N=C(/C1CC1)\C
InChI:
InChI=1S/C5H9NO/c1-4(6-7)5-2-3-5/h5,7H,2-3H2,1H3
InChIKey:
HTMLLPBZMWBCDN-UHFFFAOYSA-N

Cite this record

CBID:91430 http://www.chembase.cn/molecule-91430.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-cyclopropylethylidene)hydroxylamine
(E)-N-(1-cyclopropylethylidene)hydroxylamine
IUPAC Traditional name
N-(1-cyclopropylethylidene)hydroxylamine
(E)-N-(1-cyclopropylethylidene)hydroxylamine
Synonyms
Cyclopropylmethylketone oxime
(E)-1-cyclopropylethanone oxime
MDL Number
MFCD00778669
PubChem SID
162078129
PubChem CID
5355375

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5355375 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.052752  H Acceptors
H Donor LogD (pH = 5.5) 0.8946571 
LogD (pH = 7.4) 0.89544576  Log P 0.8955558 
Molar Refractivity 27.4157 cm3 Polarizability 10.63469 Å3
Polar Surface Area 32.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle