ruthenium(1+) isocyanate

CNORu — CID 150299846

IUPACruthenium(1+) isocyanate
SMILES[N-]=C=O.[Ru+]
InChIInChI=1S/CNO.Ru/c2-1-3;/q-1;+1
InChIKeyGJJHYSWAVHDCDP-UHFFFAOYSA-N
MW143.09 g/mol
LogP-0.11
Rot. Bonds

About ruthenium(1+) isocyanate

ruthenium(1+) isocyanate (PubChem CID 150299846) has the molecular formula CNORu and a molecular weight of 143.09 g/mol. Its IUPAC name is ruthenium(1+) isocyanate.

Molecular Properties

Compound Nameruthenium(1+) isocyanate
PubChem CID150299846
Molecular FormulaCNORu
Molecular Weight143.09 g/mol
Exact Mass143.90
IUPAC Nameruthenium(1+) isocyanate
SMILES[N-]=C=O.[Ru+]
InChIInChI=1S/CNO.Ru/c2-1-3;/q-1;+1
InChIKeyGJJHYSWAVHDCDP-UHFFFAOYSA-N
XLogP-0.11
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
zirconium(4+) tetraisocyanate
CID 161118534
sulfane isocyanate
CID 23503952
azane isocyanate
CID 22114493
cerium(3+) triisocyanate
CID 141389401
sodium;dichloride;isocyanate
CID 18324615
iron(2+);nickel(2+);tetraisocyanate
CID 175341368
methane;phosphane;diisocyanate
CID 21425418
chromium(3+);iron(2+);pentaisocyanate
CID 175385630
hydrazine diisocyanate
CID 21493304

Frequently Asked Questions

What is the IUPAC name of ruthenium(1+) isocyanate?
The IUPAC name of ruthenium(1+) isocyanate (CID 150299846) is ruthenium(1+) isocyanate.
What is the SMILES notation for ruthenium(1+) isocyanate?
The canonical SMILES for ruthenium(1+) isocyanate is [N-]=C=O.[Ru+].
What is the InChIKey of ruthenium(1+) isocyanate?
The InChIKey is GJJHYSWAVHDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/CNO.Ru/c2-1-3;/q-1;+1.
What are the key properties of ruthenium(1+) isocyanate?
ruthenium(1+) isocyanate has a molecular weight of 143.09 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(1+) isocyanate is sourced from PubChem (CID 150299846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).