(NE)-N-ethylidenenitramide

C2H4N2O2 — CID 144965616

IUPAC(NE)-N-ethylidenenitramide
SMILESC/C=N/[N+](=O)[O-]
InChIInChI=1S/C2H4N2O2/c1-2-3-4(5)6/h2H,1H3/b3-2+
InChIKeyKQHAHLDFAZYZDI-NSCUHMNNSA-N
MW88.07 g/mol
LogP0.27
Rot. Bonds1

About (NE)-N-ethylidenenitramide

(NE)-N-ethylidenenitramide (PubChem CID 144965616) has the molecular formula C2H4N2O2 and a molecular weight of 88.07 g/mol. Its IUPAC name is (NE)-N-ethylidenenitramide.

Molecular Properties

Compound Name(NE)-N-ethylidenenitramide
PubChem CID144965616
Molecular FormulaC2H4N2O2
Molecular Weight88.07 g/mol
Exact Mass88.03
IUPAC Name(NE)-N-ethylidenenitramide
SMILESC/C=N/[N+](=O)[O-]
InChIInChI=1S/C2H4N2O2/c1-2-3-4(5)6/h2H,1H3/b3-2+
InChIKeyKQHAHLDFAZYZDI-NSCUHMNNSA-N
XLogP0.27
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.07
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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

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disodium;N-oxonitramide
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nitromethane;hydroiodide
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CID 175187557
2-methylpropan-2-ol;nickel(2+);dinitrate
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N'-nitroethanimidamide
CID 90887679

Frequently Asked Questions

What is the IUPAC name of (NE)-N-ethylidenenitramide?
The IUPAC name of (NE)-N-ethylidenenitramide (CID 144965616) is (NE)-N-ethylidenenitramide.
What is the SMILES notation for (NE)-N-ethylidenenitramide?
The canonical SMILES for (NE)-N-ethylidenenitramide is C/C=N/[N+](=O)[O-].
What is the InChIKey of (NE)-N-ethylidenenitramide?
The InChIKey is KQHAHLDFAZYZDI-NSCUHMNNSA-N. The full InChI is InChI=1S/C2H4N2O2/c1-2-3-4(5)6/h2H,1H3/b3-2+.
What are the key properties of (NE)-N-ethylidenenitramide?
(NE)-N-ethylidenenitramide has a molecular weight of 88.07 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-ethylidenenitramide is sourced from PubChem (CID 144965616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).