1-hydrazinyl-2-nitroethenol

C2H5N3O3 — CID 4222823

IUPAC1-hydrazinyl-2-nitroethenol
SMILESNNC(O)=C[N+](=O)[O-]
InChIInChI=1S/C2H5N3O3/c3-4-2(6)1-5(7)8/h1,4,6H,3H2
InChIKeyFFJDUFJESKPHJW-UHFFFAOYSA-N
MW119.08 g/mol
LogP-0.92
Rot. Bonds2

About 1-hydrazinyl-2-nitroethenol

1-hydrazinyl-2-nitroethenol (PubChem CID 4222823) has the molecular formula C2H5N3O3 and a molecular weight of 119.08 g/mol. Its IUPAC name is 1-hydrazinyl-2-nitroethenol.

Molecular Properties

Compound Name1-hydrazinyl-2-nitroethenol
PubChem CID4222823
Molecular FormulaC2H5N3O3
Molecular Weight119.08 g/mol
Exact Mass119.03
IUPAC Name1-hydrazinyl-2-nitroethenol
SMILESNNC(O)=C[N+](=O)[O-]
InChIInChI=1S/C2H5N3O3/c3-4-2(6)1-5(7)8/h1,4,6H,3H2
InChIKeyFFJDUFJESKPHJW-UHFFFAOYSA-N
XLogP-0.92
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-hydrazinyl-2-nitroethenol?
The IUPAC name of 1-hydrazinyl-2-nitroethenol (CID 4222823) is 1-hydrazinyl-2-nitroethenol.
What is the SMILES notation for 1-hydrazinyl-2-nitroethenol?
The canonical SMILES for 1-hydrazinyl-2-nitroethenol is NNC(O)=C[N+](=O)[O-].
What is the InChIKey of 1-hydrazinyl-2-nitroethenol?
The InChIKey is FFJDUFJESKPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O3/c3-4-2(6)1-5(7)8/h1,4,6H,3H2.
What are the key properties of 1-hydrazinyl-2-nitroethenol?
1-hydrazinyl-2-nitroethenol has a molecular weight of 119.08 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-2-nitroethenol is sourced from PubChem (CID 4222823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).