Home > Compound List > Compound details
907972-23-0 molecular structure
click picture or here to close

1-cyclopropylpiperazin-2-one

ChemBase ID: 286325
Molecular Formular: C7H12N2O
Molecular Mass: 140.18298
Monoisotopic Mass: 140.09496301
SMILES and InChIs

SMILES:
N1(C2CC2)C(=O)CNCC1
Canonical SMILES:
O=C1CNCCN1C1CC1
InChI:
InChI=1S/C7H12N2O/c10-7-5-8-3-4-9(7)6-1-2-6/h6,8H,1-5H2
InChIKey:
YXPXCDLNZHHGNC-UHFFFAOYSA-N

Cite this record

CBID:286325 http://www.chembase.cn/molecule-286325.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropylpiperazin-2-one
IUPAC Traditional name
1-cyclopropylpiperazin-2-one
Synonyms
1-cyclopropylpiperazin-2-one
CAS Number
907972-23-0
MDL Number
MFCD07373409
PubChem SID
180671856
PubChem CID
53414037

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53414037 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3352368  LogD (pH = 7.4) -0.94118106 
Log P -0.78044605  Molar Refractivity 37.6358 cm3
Polarizability 14.909609 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.413 expand Show data source
Purity
95% expand Show data source
98% 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