calcium;hydride;urea;hydrate

CH8CaN2O2 — CID 174880700

IUPACcalcium;hydride;urea;hydrate
SMILESNC(N)=O.O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH4N2O.Ca.H2O.2H/c2-1(3)4;;;;/h(H4,2,3,4);;1H2;;/q;+2;;2*-1
InChIKeyDGQXYDHCEQRGMP-UHFFFAOYSA-N
MW120.17 g/mol
LogP-1.96
Rot. Bonds

About calcium;hydride;urea;hydrate

calcium;hydride;urea;hydrate (PubChem CID 174880700) has the molecular formula CH8CaN2O2 and a molecular weight of 120.17 g/mol. Its IUPAC name is calcium;hydride;urea;hydrate.

Molecular Properties

Compound Namecalcium;hydride;urea;hydrate
PubChem CID174880700
Molecular FormulaCH8CaN2O2
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Namecalcium;hydride;urea;hydrate
SMILESNC(N)=O.O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH4N2O.Ca.H2O.2H/c2-1(3)4;;;;/h(H4,2,3,4);;1H2;;/q;+2;;2*-1
InChIKeyDGQXYDHCEQRGMP-UHFFFAOYSA-N
XLogP-1.96
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;urea;hydrate?
The IUPAC name of calcium;hydride;urea;hydrate (CID 174880700) is calcium;hydride;urea;hydrate.
What is the SMILES notation for calcium;hydride;urea;hydrate?
The canonical SMILES for calcium;hydride;urea;hydrate is NC(N)=O.O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;urea;hydrate?
The InChIKey is DGQXYDHCEQRGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.Ca.H2O.2H/c2-1(3)4;;;;/h(H4,2,3,4);;1H2;;/q;+2;;2*-1.
What are the key properties of calcium;hydride;urea;hydrate?
calcium;hydride;urea;hydrate has a molecular weight of 120.17 g/mol, XLogP of -1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;urea;hydrate is sourced from PubChem (CID 174880700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).