N-(2-hydroxyethyl)nitramide;nitric acid

C2H7N3O6 — CID 88619388

IUPACN-(2-hydroxyethyl)nitramide;nitric acid
SMILESO=[N+]([O-])NCCO.O=[N+]([O-])O
InChIInChI=1S/C2H6N2O3.HNO3/c5-2-1-3-4(6)7;2-1(3)4/h3,5H,1-2H2;(H,2,3,4)
InChIKeyIDSUDFFUXDYPFR-UHFFFAOYSA-N
MW169.09 g/mol
LogP-1.59
Rot. Bonds3

About N-(2-hydroxyethyl)nitramide;nitric acid

N-(2-hydroxyethyl)nitramide;nitric acid (PubChem CID 88619388) has the molecular formula C2H7N3O6 and a molecular weight of 169.09 g/mol. Its IUPAC name is N-(2-hydroxyethyl)nitramide;nitric acid.

Molecular Properties

Compound NameN-(2-hydroxyethyl)nitramide;nitric acid
PubChem CID88619388
Molecular FormulaC2H7N3O6
Molecular Weight169.09 g/mol
Exact Mass169.03
IUPAC NameN-(2-hydroxyethyl)nitramide;nitric acid
SMILESO=[N+]([O-])NCCO.O=[N+]([O-])O
InChIInChI=1S/C2H6N2O3.HNO3/c5-2-1-3-4(6)7;2-1(3)4/h3,5H,1-2H2;(H,2,3,4)
InChIKeyIDSUDFFUXDYPFR-UHFFFAOYSA-N
XLogP-1.59
TPSA138.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.09
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanol;bis(nitric acid)
CID 22257240
mercury;bis(nitric acid)
CID 131842795
cadmium;bis(nitric acid)
CID 72833329
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
azane;decakis(nitric acid)
CID 173055393
CID 173018650
CID 173018650
azane;(nitric acid)
CID 173431766
CID 173119618
CID 173119618
einsteinium;tris(nitric acid)
CID 131879224
lutetium;nitric acid
CID 54604402
hydrogen peroxide;nitric acid
CID 22590704
azane;tetrakis(nitric acid)
CID 173388272

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)nitramide;nitric acid?
The IUPAC name of N-(2-hydroxyethyl)nitramide;nitric acid (CID 88619388) is N-(2-hydroxyethyl)nitramide;nitric acid.
What is the SMILES notation for N-(2-hydroxyethyl)nitramide;nitric acid?
The canonical SMILES for N-(2-hydroxyethyl)nitramide;nitric acid is O=[N+]([O-])NCCO.O=[N+]([O-])O.
What is the InChIKey of N-(2-hydroxyethyl)nitramide;nitric acid?
The InChIKey is IDSUDFFUXDYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O3.HNO3/c5-2-1-3-4(6)7;2-1(3)4/h3,5H,1-2H2;(H,2,3,4).
What are the key properties of N-(2-hydroxyethyl)nitramide;nitric acid?
N-(2-hydroxyethyl)nitramide;nitric acid has a molecular weight of 169.09 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)nitramide;nitric acid is sourced from PubChem (CID 88619388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).