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

1-(2,3-dihydro-1H-indol-1-yl)-2-{10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl}ethane-1,2-dione

ChemBase ID: 341094
Molecular Formular: C20H25N3O3
Molecular Mass: 355.4308
Monoisotopic Mass: 355.18959168
SMILES and InChIs

SMILES:
N1(C(=O)C(=O)N2CCC3(CC2)CCC(=O)NCC3)c2c(CC1)cccc2
Canonical SMILES:
O=C1NCCC2(CC1)CCN(CC2)C(=O)C(=O)N1CCc2c1cccc2
InChI:
InChI=1S/C20H25N3O3/c24-17-5-7-20(8-11-21-17)9-13-22(14-10-20)18(25)19(26)23-12-6-15-3-1-2-4-16(15)23/h1-4H,5-14H2,(H,21,24)
InChIKey:
MVJZEHUSHHGWEZ-UHFFFAOYSA-N

Cite this record

CBID:341094 http://www.chembase.cn/molecule-341094.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,3-dihydro-1H-indol-1-yl)-2-{10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl}ethane-1,2-dione
IUPAC Traditional name
1-(2,3-dihydroindol-1-yl)-2-{10-oxo-3,9-diazaspiro[5.6]dodecan-3-yl}ethane-1,2-dione
Synonyms
3-[2,3-dihydro-1H-indol-1-yl(oxo)acetyl]-3,9-diazaspiro[5.6]dodecan-10-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13972523 external link Add to cart
Data Source Data ID Price
ChemBridge
13972523 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.22564  H Acceptors
H Donor LogD (pH = 5.5) 0.6644428 
LogD (pH = 7.4) 0.66444284  Log P 0.6644429 
Molar Refractivity 97.7774 cm3 Polarizability 37.55164 Å3
Polar Surface Area 69.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.47  LOG S -2.7 
Polar Surface Area 69.72 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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