chromium(3+);iron(2+);pentaisocyanate

C5CrFeN5O5 — CID 175385630

IUPACchromium(3+);iron(2+);pentaisocyanate
SMILES[Cr+3].[Fe+2].[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O
InChIInChI=1S/5CNO.Cr.Fe/c5*2-1-3;;/q5*-1;+3;+2
InChIKeyQUAVFCKQRKVCSZ-UHFFFAOYSA-N
MW317.93 g/mol
LogP-0.55
Rot. Bonds

About chromium(3+);iron(2+);pentaisocyanate

chromium(3+);iron(2+);pentaisocyanate (PubChem CID 175385630) has the molecular formula C5CrFeN5O5 and a molecular weight of 317.93 g/mol. Its IUPAC name is chromium(3+);iron(2+);pentaisocyanate.

Molecular Properties

Compound Namechromium(3+);iron(2+);pentaisocyanate
PubChem CID175385630
Molecular FormulaC5CrFeN5O5
Molecular Weight317.93 g/mol
Exact Mass317.87
IUPAC Namechromium(3+);iron(2+);pentaisocyanate
SMILES[Cr+3].[Fe+2].[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O
InChIInChI=1S/5CNO.Cr.Fe/c5*2-1-3;;/q5*-1;+3;+2
InChIKeyQUAVFCKQRKVCSZ-UHFFFAOYSA-N
XLogP-0.55
TPSA196.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.93
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

iron(2+);nickel(2+);tetraisocyanate
CID 175341368
CID 159379523
CID 159379523
CID 18764448
CID 18764448
dicesium diisocyanate
CID 158783329
zirconium(4+) tetraisocyanate
CID 161118534
sulfane isocyanate
CID 23503952
ruthenium(1+) isocyanate
CID 150299846
azane isocyanate
CID 22114493
cerium(3+) triisocyanate
CID 141389401
sodium;dichloride;isocyanate
CID 18324615
hydrazine diisocyanate
CID 21493304
methane;phosphane;diisocyanate
CID 21425418

Frequently Asked Questions

What is the IUPAC name of chromium(3+);iron(2+);pentaisocyanate?
The IUPAC name of chromium(3+);iron(2+);pentaisocyanate (CID 175385630) is chromium(3+);iron(2+);pentaisocyanate.
What is the SMILES notation for chromium(3+);iron(2+);pentaisocyanate?
The canonical SMILES for chromium(3+);iron(2+);pentaisocyanate is [Cr+3].[Fe+2].[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O.
What is the InChIKey of chromium(3+);iron(2+);pentaisocyanate?
The InChIKey is QUAVFCKQRKVCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5CNO.Cr.Fe/c5*2-1-3;;/q5*-1;+3;+2.
What are the key properties of chromium(3+);iron(2+);pentaisocyanate?
chromium(3+);iron(2+);pentaisocyanate has a molecular weight of 317.93 g/mol, XLogP of -0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);iron(2+);pentaisocyanate is sourced from PubChem (CID 175385630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).