2-cyclohexylguanidine;dihydroxy(dioxo)chromium

C7H17CrN3O4 — CID 158817655

IUPAC2-cyclohexylguanidine;dihydroxy(dioxo)chromium
SMILESNC(N)=NC1CCCCC1.O=[Cr](=O)(O)O
InChIInChI=1S/C7H15N3.Cr.2H2O.2O/c8-7(9)10-6-4-2-1-3-5-6;;;;;/h6H,1-5H2,(H4,8,9,10);;2*1H2;;/q;+2;;;;/p-2
InChIKeyIVLUXTNBFKKWBQ-UHFFFAOYSA-L
MW259.23 g/mol
LogP-0.76
Rot. Bonds1

About 2-cyclohexylguanidine;dihydroxy(dioxo)chromium

2-cyclohexylguanidine;dihydroxy(dioxo)chromium (PubChem CID 158817655) has the molecular formula C7H17CrN3O4 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-cyclohexylguanidine;dihydroxy(dioxo)chromium.

Molecular Properties

Compound Name2-cyclohexylguanidine;dihydroxy(dioxo)chromium
PubChem CID158817655
Molecular FormulaC7H17CrN3O4
Molecular Weight259.23 g/mol
Exact Mass259.06
IUPAC Name2-cyclohexylguanidine;dihydroxy(dioxo)chromium
SMILESNC(N)=NC1CCCCC1.O=[Cr](=O)(O)O
InChIInChI=1S/C7H15N3.Cr.2H2O.2O/c8-7(9)10-6-4-2-1-3-5-6;;;;;/h6H,1-5H2,(H4,8,9,10);;2*1H2;;/q;+2;;;;/p-2
InChIKeyIVLUXTNBFKKWBQ-UHFFFAOYSA-L
XLogP-0.76
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylguanidine;dihydroxy(dioxo)chromium?
The IUPAC name of 2-cyclohexylguanidine;dihydroxy(dioxo)chromium (CID 158817655) is 2-cyclohexylguanidine;dihydroxy(dioxo)chromium.
What is the SMILES notation for 2-cyclohexylguanidine;dihydroxy(dioxo)chromium?
The canonical SMILES for 2-cyclohexylguanidine;dihydroxy(dioxo)chromium is NC(N)=NC1CCCCC1.O=[Cr](=O)(O)O.
What is the InChIKey of 2-cyclohexylguanidine;dihydroxy(dioxo)chromium?
The InChIKey is IVLUXTNBFKKWBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H15N3.Cr.2H2O.2O/c8-7(9)10-6-4-2-1-3-5-6;;;;;/h6H,1-5H2,(H4,8,9,10);;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of 2-cyclohexylguanidine;dihydroxy(dioxo)chromium?
2-cyclohexylguanidine;dihydroxy(dioxo)chromium has a molecular weight of 259.23 g/mol, XLogP of -0.76, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylguanidine;dihydroxy(dioxo)chromium is sourced from PubChem (CID 158817655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).