disodium;carbamoyl carbamoperoxoate;hydride

C2H6N2Na2O4 — CID 173126478

IUPACdisodium;carbamoyl carbamoperoxoate;hydride
SMILESNC(=O)OOC(N)=O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H4N2O4.2Na.2H/c3-1(5)7-8-2(4)6;;;;/h(H2,3,5)(H2,4,6);;;;/q;2*+1;2*-1
InChIKeyCOVMBQYSRZQLAN-UHFFFAOYSA-N
MW168.06 g/mol
LogP-6.68
Rot. Bonds

About disodium;carbamoyl carbamoperoxoate;hydride

disodium;carbamoyl carbamoperoxoate;hydride (PubChem CID 173126478) has the molecular formula C2H6N2Na2O4 and a molecular weight of 168.06 g/mol. Its IUPAC name is disodium;carbamoyl carbamoperoxoate;hydride.

Molecular Properties

Compound Namedisodium;carbamoyl carbamoperoxoate;hydride
PubChem CID173126478
Molecular FormulaC2H6N2Na2O4
Molecular Weight168.06 g/mol
Exact Mass168.01
IUPAC Namedisodium;carbamoyl carbamoperoxoate;hydride
SMILESNC(=O)OOC(N)=O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H4N2O4.2Na.2H/c3-1(5)7-8-2(4)6;;;;/h(H2,3,5)(H2,4,6);;;;/q;2*+1;2*-1
InChIKeyCOVMBQYSRZQLAN-UHFFFAOYSA-N
XLogP-6.68
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.06
LogP ≤ 5-6.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

amino carbamoperoxoate
CID 154219003
sulfanyl carbamoperoxoate
CID 138459846
ruthenium;urea
CID 161030938
sodium;hydride;2-iodoacetamide
CID 173298504
sodium;ethenyl carbamate;hydride
CID 174882073
sodium;hydride;phosphono carbamate
CID 173413043
carbamoyl carbamate;dihydrochloride
CID 175326234
carbamoyl 2,5-dioxopyrrolidine-1-carboperoxoate
CID 141261019
[dicarbamoyloxy(tricarbamoyloxymethoxy)methyl] carbamate
CID 163462835
carbamoyl 2-methylidenepent-4-eneperoxoate
CID 87501876
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
diamino(113C)methanone
CID 636363

Frequently Asked Questions

What is the IUPAC name of disodium;carbamoyl carbamoperoxoate;hydride?
The IUPAC name of disodium;carbamoyl carbamoperoxoate;hydride (CID 173126478) is disodium;carbamoyl carbamoperoxoate;hydride.
What is the SMILES notation for disodium;carbamoyl carbamoperoxoate;hydride?
The canonical SMILES for disodium;carbamoyl carbamoperoxoate;hydride is NC(=O)OOC(N)=O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;carbamoyl carbamoperoxoate;hydride?
The InChIKey is COVMBQYSRZQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O4.2Na.2H/c3-1(5)7-8-2(4)6;;;;/h(H2,3,5)(H2,4,6);;;;/q;2*+1;2*-1.
What are the key properties of disodium;carbamoyl carbamoperoxoate;hydride?
disodium;carbamoyl carbamoperoxoate;hydride has a molecular weight of 168.06 g/mol, XLogP of -6.68, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;carbamoyl carbamoperoxoate;hydride is sourced from PubChem (CID 173126478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).