4-ethylpyridine;(methoxyamino)oxymethane

C9H16N2O2 — CID 174441911

IUPAC4-ethylpyridine;(methoxyamino)oxymethane
SMILESCCc1ccncc1.CONOC
InChIInChI=1S/C7H9N.C2H7NO2/c1-2-7-3-5-8-6-4-7;1-4-3-5-2/h3-6H,2H2,1H3;3H,1-2H3
InChIKeyAUNKDXDKEZQHRD-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.34
Rot. Bonds3

About 4-ethylpyridine;(methoxyamino)oxymethane

4-ethylpyridine;(methoxyamino)oxymethane (PubChem CID 174441911) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-ethylpyridine;(methoxyamino)oxymethane.

Molecular Properties

Compound Name4-ethylpyridine;(methoxyamino)oxymethane
PubChem CID174441911
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-ethylpyridine;(methoxyamino)oxymethane
SMILESCCc1ccncc1.CONOC
InChIInChI=1S/C7H9N.C2H7NO2/c1-2-7-3-5-8-6-4-7;1-4-3-5-2/h3-6H,2H2,1H3;3H,1-2H3
InChIKeyAUNKDXDKEZQHRD-UHFFFAOYSA-N
XLogP1.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpyridine;(methoxyamino)oxymethane?
The IUPAC name of 4-ethylpyridine;(methoxyamino)oxymethane (CID 174441911) is 4-ethylpyridine;(methoxyamino)oxymethane.
What is the SMILES notation for 4-ethylpyridine;(methoxyamino)oxymethane?
The canonical SMILES for 4-ethylpyridine;(methoxyamino)oxymethane is CCc1ccncc1.CONOC.
What is the InChIKey of 4-ethylpyridine;(methoxyamino)oxymethane?
The InChIKey is AUNKDXDKEZQHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H7NO2/c1-2-7-3-5-8-6-4-7;1-4-3-5-2/h3-6H,2H2,1H3;3H,1-2H3.
What are the key properties of 4-ethylpyridine;(methoxyamino)oxymethane?
4-ethylpyridine;(methoxyamino)oxymethane has a molecular weight of 184.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpyridine;(methoxyamino)oxymethane is sourced from PubChem (CID 174441911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).