calcium;formic acid;N-methylmethanamine;diformate

C5H11CaNO6 — CID 174827406

IUPACcalcium;formic acid;N-methylmethanamine;diformate
SMILESCNC.O=CO.O=C[O-].O=C[O-].[Ca+2]
InChIInChI=1S/C2H7N.3CH2O2.Ca/c1-3-2;3*2-1-3;/h3H,1-2H3;3*1H,(H,2,3);/q;;;;+2/p-2
InChIKeyJIMKCVFMZLZVQE-UHFFFAOYSA-L
MW221.22 g/mol
LogP-4.11
Rot. Bonds

About calcium;formic acid;N-methylmethanamine;diformate

calcium;formic acid;N-methylmethanamine;diformate (PubChem CID 174827406) has the molecular formula C5H11CaNO6 and a molecular weight of 221.22 g/mol. Its IUPAC name is calcium;formic acid;N-methylmethanamine;diformate.

Molecular Properties

Compound Namecalcium;formic acid;N-methylmethanamine;diformate
PubChem CID174827406
Molecular FormulaC5H11CaNO6
Molecular Weight221.22 g/mol
Exact Mass221.02
IUPAC Namecalcium;formic acid;N-methylmethanamine;diformate
SMILESCNC.O=CO.O=C[O-].O=C[O-].[Ca+2]
InChIInChI=1S/C2H7N.3CH2O2.Ca/c1-3-2;3*2-1-3;/h3H,1-2H3;3*1H,(H,2,3);/q;;;;+2/p-2
InChIKeyJIMKCVFMZLZVQE-UHFFFAOYSA-L
XLogP-4.11
TPSA129.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-4.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);formic acid;diformate
CID 161399171
aluminum;formic acid;triformate
CID 161151141
sodium;copper;formic acid;formate
CID 155803272
formic acid;methanolate;titanium
CID 18780848
calcium;methylcyanamide;diformate
CID 175937882
formic acid;oxotitanium
CID 175440261
hydroxyformaldehyde
CID 11672690
formic acid;methylmercury
CID 161039463
gallium triformate
CID 23199529
azane;formic acid
CID 173072725
formic acid;methane
CID 174325253
CID 131858412
CID 131858412

Frequently Asked Questions

What is the IUPAC name of calcium;formic acid;N-methylmethanamine;diformate?
The IUPAC name of calcium;formic acid;N-methylmethanamine;diformate (CID 174827406) is calcium;formic acid;N-methylmethanamine;diformate.
What is the SMILES notation for calcium;formic acid;N-methylmethanamine;diformate?
The canonical SMILES for calcium;formic acid;N-methylmethanamine;diformate is CNC.O=CO.O=C[O-].O=C[O-].[Ca+2].
What is the InChIKey of calcium;formic acid;N-methylmethanamine;diformate?
The InChIKey is JIMKCVFMZLZVQE-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H7N.3CH2O2.Ca/c1-3-2;3*2-1-3;/h3H,1-2H3;3*1H,(H,2,3);/q;;;;+2/p-2.
What are the key properties of calcium;formic acid;N-methylmethanamine;diformate?
calcium;formic acid;N-methylmethanamine;diformate has a molecular weight of 221.22 g/mol, XLogP of -4.11, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;formic acid;N-methylmethanamine;diformate is sourced from PubChem (CID 174827406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).