cerium(3+) triisocyanate

C3CeN3O3 — CID 141389401

IUPACcerium(3+) triisocyanate
SMILES[Ce+3].[N-]=C=O.[N-]=C=O.[N-]=C=O
InChIInChI=1S/3CNO.Ce/c3*2-1-3;/q3*-1;+3
InChIKeyFFGRHJBKCDLDQO-UHFFFAOYSA-N
MW266.17 g/mol
LogP-0.33
Rot. Bonds

About cerium(3+) triisocyanate

cerium(3+) triisocyanate (PubChem CID 141389401) has the molecular formula C3CeN3O3 and a molecular weight of 266.17 g/mol. Its IUPAC name is cerium(3+) triisocyanate.

Molecular Properties

Compound Namecerium(3+) triisocyanate
PubChem CID141389401
Molecular FormulaC3CeN3O3
Molecular Weight266.17 g/mol
Exact Mass265.90
IUPAC Namecerium(3+) triisocyanate
SMILES[Ce+3].[N-]=C=O.[N-]=C=O.[N-]=C=O
InChIInChI=1S/3CNO.Ce/c3*2-1-3;/q3*-1;+3
InChIKeyFFGRHJBKCDLDQO-UHFFFAOYSA-N
XLogP-0.33
TPSA118.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

CID 18764448
CID 18764448
CID 159379523
CID 159379523
dicesium diisocyanate
CID 158783329
sulfane isocyanate
CID 23503952
zirconium(4+) tetraisocyanate
CID 161118534
ruthenium(1+) isocyanate
CID 150299846
azane isocyanate
CID 22114493
iron(2+);nickel(2+);tetraisocyanate
CID 175341368
methane;phosphane;diisocyanate
CID 21425418
chromium(3+);iron(2+);pentaisocyanate
CID 175385630
hydrazine diisocyanate
CID 21493304
CID 22938984
CID 22938984

Frequently Asked Questions

What is the IUPAC name of cerium(3+) triisocyanate?
The IUPAC name of cerium(3+) triisocyanate (CID 141389401) is cerium(3+) triisocyanate.
What is the SMILES notation for cerium(3+) triisocyanate?
The canonical SMILES for cerium(3+) triisocyanate is [Ce+3].[N-]=C=O.[N-]=C=O.[N-]=C=O.
What is the InChIKey of cerium(3+) triisocyanate?
The InChIKey is FFGRHJBKCDLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/3CNO.Ce/c3*2-1-3;/q3*-1;+3.
What are the key properties of cerium(3+) triisocyanate?
cerium(3+) triisocyanate has a molecular weight of 266.17 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+) triisocyanate is sourced from PubChem (CID 141389401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).