hydroxy(nitrocarbonyl)carbamic acid

C2H2N2O6 — CID 152676196

IUPAChydroxy(nitrocarbonyl)carbamic acid
SMILESO=C(O)N(O)C(=O)[N+](=O)[O-]
InChIInChI=1S/C2H2N2O6/c5-1(4(9)10)3(8)2(6)7/h8H,(H,6,7)
InChIKeyZMOMZODARHQAST-UHFFFAOYSA-N
MW150.05 g/mol
LogP-0.25
Rot. Bonds

About hydroxy(nitrocarbonyl)carbamic acid

hydroxy(nitrocarbonyl)carbamic acid (PubChem CID 152676196) has the molecular formula C2H2N2O6 and a molecular weight of 150.05 g/mol. Its IUPAC name is hydroxy(nitrocarbonyl)carbamic acid.

Molecular Properties

Compound Namehydroxy(nitrocarbonyl)carbamic acid
PubChem CID152676196
Molecular FormulaC2H2N2O6
Molecular Weight150.05 g/mol
Exact Mass149.99
IUPAC Namehydroxy(nitrocarbonyl)carbamic acid
SMILESO=C(O)N(O)C(=O)[N+](=O)[O-]
InChIInChI=1S/C2H2N2O6/c5-1(4(9)10)3(8)2(6)7/h8H,(H,6,7)
InChIKeyZMOMZODARHQAST-UHFFFAOYSA-N
XLogP-0.25
TPSA120.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy(nitrocarbonyl)carbamic acid?
The IUPAC name of hydroxy(nitrocarbonyl)carbamic acid (CID 152676196) is hydroxy(nitrocarbonyl)carbamic acid.
What is the SMILES notation for hydroxy(nitrocarbonyl)carbamic acid?
The canonical SMILES for hydroxy(nitrocarbonyl)carbamic acid is O=C(O)N(O)C(=O)[N+](=O)[O-].
What is the InChIKey of hydroxy(nitrocarbonyl)carbamic acid?
The InChIKey is ZMOMZODARHQAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O6/c5-1(4(9)10)3(8)2(6)7/h8H,(H,6,7).
What are the key properties of hydroxy(nitrocarbonyl)carbamic acid?
hydroxy(nitrocarbonyl)carbamic acid has a molecular weight of 150.05 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(nitrocarbonyl)carbamic acid is sourced from PubChem (CID 152676196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).