calcium;azanide;ethane;hydroxymethanone

C3H8CaNO2- — CID 58769165

IUPACcalcium;azanide;ethane;hydroxymethanone
SMILESO=[C-]O.[CH2-]C.[Ca+2].[NH2-]
InChIInChI=1S/C2H5.CHO2.Ca.H2N/c1-2;2-1-3;;/h1H2,2H3;(H,2,3);;1H2/q2*-1;+2;-1
InChIKeyWFSXIRBOUNWRLY-UHFFFAOYSA-N
MW130.18 g/mol
LogP0.79
Rot. Bonds

About calcium;azanide;ethane;hydroxymethanone

calcium;azanide;ethane;hydroxymethanone (PubChem CID 58769165) has the molecular formula C3H8CaNO2- and a molecular weight of 130.18 g/mol. Its IUPAC name is calcium;azanide;ethane;hydroxymethanone.

Molecular Properties

Compound Namecalcium;azanide;ethane;hydroxymethanone
PubChem CID58769165
Molecular FormulaC3H8CaNO2-
Molecular Weight130.18 g/mol
Exact Mass130.02
IUPAC Namecalcium;azanide;ethane;hydroxymethanone
SMILESO=[C-]O.[CH2-]C.[Ca+2].[NH2-]
InChIInChI=1S/C2H5.CHO2.Ca.H2N/c1-2;2-1-3;;/h1H2,2H3;(H,2,3);;1H2/q2*-1;+2;-1
InChIKeyWFSXIRBOUNWRLY-UHFFFAOYSA-N
XLogP0.79
TPSA70.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of calcium;azanide;ethane;hydroxymethanone?
The IUPAC name of calcium;azanide;ethane;hydroxymethanone (CID 58769165) is calcium;azanide;ethane;hydroxymethanone.
What is the SMILES notation for calcium;azanide;ethane;hydroxymethanone?
The canonical SMILES for calcium;azanide;ethane;hydroxymethanone is O=[C-]O.[CH2-]C.[Ca+2].[NH2-].
What is the InChIKey of calcium;azanide;ethane;hydroxymethanone?
The InChIKey is WFSXIRBOUNWRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5.CHO2.Ca.H2N/c1-2;2-1-3;;/h1H2,2H3;(H,2,3);;1H2/q2*-1;+2;-1.
What are the key properties of calcium;azanide;ethane;hydroxymethanone?
calcium;azanide;ethane;hydroxymethanone has a molecular weight of 130.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;azanide;ethane;hydroxymethanone is sourced from PubChem (CID 58769165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).