(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane

C6H15NO2 — CID 89392475

IUPAC(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane
SMILESCC/C(C)=N/O.COC
InChIInChI=1S/C4H9NO.C2H6O/c1-3-4(2)5-6;1-3-2/h6H,3H2,1-2H3;1-2H3/b5-4+;
InChIKeyJHJYRUNYSFEPRO-FXRZFVDSSA-N
MW133.19 g/mol
LogP1.51
Rot. Bonds1

About (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane

(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane (PubChem CID 89392475) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane.

Molecular Properties

Compound Name(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane
PubChem CID89392475
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane
SMILESCC/C(C)=N/O.COC
InChIInChI=1S/C4H9NO.C2H6O/c1-3-4(2)5-6;1-3-2/h6H,3H2,1-2H3;1-2H3/b5-4+;
InChIKeyJHJYRUNYSFEPRO-FXRZFVDSSA-N
XLogP1.51
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane?
The IUPAC name of (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane (CID 89392475) is (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane.
What is the SMILES notation for (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane?
The canonical SMILES for (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane is CC/C(C)=N/O.COC.
What is the InChIKey of (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane?
The InChIKey is JHJYRUNYSFEPRO-FXRZFVDSSA-N. The full InChI is InChI=1S/C4H9NO.C2H6O/c1-3-4(2)5-6;1-3-2/h6H,3H2,1-2H3;1-2H3/b5-4+;.
What are the key properties of (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane?
(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane has a molecular weight of 133.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-butan-2-ylidenehydroxylamine;methoxymethane is sourced from PubChem (CID 89392475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).