calcium;potassium;hydride;urea;nitrate;dihydrate

CH10CaKN3O6 — CID 174993717

IUPACcalcium;potassium;hydride;urea;nitrate;dihydrate
SMILESNC(N)=O.O.O.O=[N+]([O-])[O-].[Ca+2].[H-].[H-].[K+]
InChIInChI=1S/CH4N2O.Ca.K.NO3.2H2O.2H/c2-1(3)4;;;2-1(3)4;;;;/h(H4,2,3,4);;;;2*1H2;;/q;+2;+1;-1;;;2*-1
InChIKeyYHFHUWLYHVVTHX-UHFFFAOYSA-N
MW239.28 g/mol
LogP-6.02
Rot. Bonds

About calcium;potassium;hydride;urea;nitrate;dihydrate

calcium;potassium;hydride;urea;nitrate;dihydrate (PubChem CID 174993717) has the molecular formula CH10CaKN3O6 and a molecular weight of 239.28 g/mol. Its IUPAC name is calcium;potassium;hydride;urea;nitrate;dihydrate.

Molecular Properties

Compound Namecalcium;potassium;hydride;urea;nitrate;dihydrate
PubChem CID174993717
Molecular FormulaCH10CaKN3O6
Molecular Weight239.28 g/mol
Exact Mass238.98
IUPAC Namecalcium;potassium;hydride;urea;nitrate;dihydrate
SMILESNC(N)=O.O.O.O=[N+]([O-])[O-].[Ca+2].[H-].[H-].[K+]
InChIInChI=1S/CH4N2O.Ca.K.NO3.2H2O.2H/c2-1(3)4;;;2-1(3)4;;;;/h(H4,2,3,4);;;;2*1H2;;/q;+2;+1;-1;;;2*-1
InChIKeyYHFHUWLYHVVTHX-UHFFFAOYSA-N
XLogP-6.02
TPSA198.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-6.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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calcium;potassium;dinitrate;hydrate
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dicalcium;urea;nitrate;nitrite
CID 161317819
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CID 174880700
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CID 22138076
dicalcium;tetranitrate;tetrahydrate
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dicalcium;carbonate;dinitrate
CID 19782802

Frequently Asked Questions

What is the IUPAC name of calcium;potassium;hydride;urea;nitrate;dihydrate?
The IUPAC name of calcium;potassium;hydride;urea;nitrate;dihydrate (CID 174993717) is calcium;potassium;hydride;urea;nitrate;dihydrate.
What is the SMILES notation for calcium;potassium;hydride;urea;nitrate;dihydrate?
The canonical SMILES for calcium;potassium;hydride;urea;nitrate;dihydrate is NC(N)=O.O.O.O=[N+]([O-])[O-].[Ca+2].[H-].[H-].[K+].
What is the InChIKey of calcium;potassium;hydride;urea;nitrate;dihydrate?
The InChIKey is YHFHUWLYHVVTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.Ca.K.NO3.2H2O.2H/c2-1(3)4;;;2-1(3)4;;;;/h(H4,2,3,4);;;;2*1H2;;/q;+2;+1;-1;;;2*-1.
What are the key properties of calcium;potassium;hydride;urea;nitrate;dihydrate?
calcium;potassium;hydride;urea;nitrate;dihydrate has a molecular weight of 239.28 g/mol, XLogP of -6.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;potassium;hydride;urea;nitrate;dihydrate is sourced from PubChem (CID 174993717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).