calcium;azanylidynealumane;hydride;hydrate

H4AlCaNO — CID 174816210

IUPACcalcium;azanylidynealumane;hydride;hydrate
SMILESN#[Al].O.[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.N.H2O.2H/h;;;1H2;;/q;+2;;;2*-1
InChIKeyZEJJCIUISGIVDX-UHFFFAOYSA-N
MW101.10 g/mol
LogP-1.35
Rot. Bonds

About calcium;azanylidynealumane;hydride;hydrate

calcium;azanylidynealumane;hydride;hydrate (PubChem CID 174816210) has the molecular formula H4AlCaNO and a molecular weight of 101.10 g/mol. Its IUPAC name is calcium;azanylidynealumane;hydride;hydrate.

Molecular Properties

Compound Namecalcium;azanylidynealumane;hydride;hydrate
PubChem CID174816210
Molecular FormulaH4AlCaNO
Molecular Weight101.10 g/mol
Exact Mass100.97
IUPAC Namecalcium;azanylidynealumane;hydride;hydrate
SMILESN#[Al].O.[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.N.H2O.2H/h;;;1H2;;/q;+2;;;2*-1
InChIKeyZEJJCIUISGIVDX-UHFFFAOYSA-N
XLogP-1.35
TPSA55.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-1.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of calcium;azanylidynealumane;hydride;hydrate?
The IUPAC name of calcium;azanylidynealumane;hydride;hydrate (CID 174816210) is calcium;azanylidynealumane;hydride;hydrate.
What is the SMILES notation for calcium;azanylidynealumane;hydride;hydrate?
The canonical SMILES for calcium;azanylidynealumane;hydride;hydrate is N#[Al].O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;azanylidynealumane;hydride;hydrate?
The InChIKey is ZEJJCIUISGIVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.N.H2O.2H/h;;;1H2;;/q;+2;;;2*-1.
What are the key properties of calcium;azanylidynealumane;hydride;hydrate?
calcium;azanylidynealumane;hydride;hydrate has a molecular weight of 101.10 g/mol, XLogP of -1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;azanylidynealumane;hydride;hydrate is sourced from PubChem (CID 174816210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).