N-(2-nitroethylidene)hydroxylamine

C2H4N2O3 — CID 71430980

IUPACN-(2-nitroethylidene)hydroxylamine
SMILESO=[N+]([O-])CC=NO
InChIInChI=1S/C2H4N2O3/c5-3-1-2-4(6)7/h1,5H,2H2
InChIKeyFYFYCAVDUPOEOO-UHFFFAOYSA-N
MW104.06 g/mol
LogP-0.28
Rot. Bonds2

About N-(2-nitroethylidene)hydroxylamine

N-(2-nitroethylidene)hydroxylamine (PubChem CID 71430980) has the molecular formula C2H4N2O3 and a molecular weight of 104.06 g/mol. Its IUPAC name is N-(2-nitroethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-nitroethylidene)hydroxylamine
PubChem CID71430980
Molecular FormulaC2H4N2O3
Molecular Weight104.06 g/mol
Exact Mass104.02
IUPAC NameN-(2-nitroethylidene)hydroxylamine
SMILESO=[N+]([O-])CC=NO
InChIInChI=1S/C2H4N2O3/c5-3-1-2-4(6)7/h1,5H,2H2
InChIKeyFYFYCAVDUPOEOO-UHFFFAOYSA-N
XLogP-0.28
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.06
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-(2-nitroethylidene)hydroxylamine?
The IUPAC name of N-(2-nitroethylidene)hydroxylamine (CID 71430980) is N-(2-nitroethylidene)hydroxylamine.
What is the SMILES notation for N-(2-nitroethylidene)hydroxylamine?
The canonical SMILES for N-(2-nitroethylidene)hydroxylamine is O=[N+]([O-])CC=NO.
What is the InChIKey of N-(2-nitroethylidene)hydroxylamine?
The InChIKey is FYFYCAVDUPOEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O3/c5-3-1-2-4(6)7/h1,5H,2H2.
What are the key properties of N-(2-nitroethylidene)hydroxylamine?
N-(2-nitroethylidene)hydroxylamine has a molecular weight of 104.06 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitroethylidene)hydroxylamine is sourced from PubChem (CID 71430980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).