(NE)-N-(3-methoxybutylidene)hydroxylamine

C5H11NO2 — CID 177477593

IUPAC(NE)-N-(3-methoxybutylidene)hydroxylamine
SMILESCOC(C)C/C=N/O
InChIInChI=1S/C5H11NO2/c1-5(8-2)3-4-6-7/h4-5,7H,3H2,1-2H3/b6-4+
InChIKeyOEZMBIYHJPLFNP-GQCTYLIASA-N
MW117.15 g/mol
LogP0.87
Rot. Bonds3

About (NE)-N-(3-methoxybutylidene)hydroxylamine

(NE)-N-(3-methoxybutylidene)hydroxylamine (PubChem CID 177477593) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (NE)-N-(3-methoxybutylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methoxybutylidene)hydroxylamine
PubChem CID177477593
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(NE)-N-(3-methoxybutylidene)hydroxylamine
SMILESCOC(C)C/C=N/O
InChIInChI=1S/C5H11NO2/c1-5(8-2)3-4-6-7/h4-5,7H,3H2,1-2H3/b6-4+
InChIKeyOEZMBIYHJPLFNP-GQCTYLIASA-N
XLogP0.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.87
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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Related Compounds

ethane;(Z)-5-methoxyhex-2-ene
CID 145378965
(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene
CID 89349918
(E,5S)-5-[(2Z)-2-hydroxyiminoethoxy]hex-2-en-1-ol
CID 90198541
1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
CID 122545429
1-hydroperoxy-3-methoxybutane
CID 18475070
1,4-dimethoxy-2-methylpentane
CID 58003999
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;holmium
CID 175853773
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
(6R,8Z)-8-hydroxyimino-2,6-dimethyloctan-2-ol
CID 98575417
(E)-5-methoxy-2-nitrohex-2-ene
CID 139683085

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-methoxybutylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methoxybutylidene)hydroxylamine (CID 177477593) is (NE)-N-(3-methoxybutylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methoxybutylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methoxybutylidene)hydroxylamine is COC(C)C/C=N/O.
What is the InChIKey of (NE)-N-(3-methoxybutylidene)hydroxylamine?
The InChIKey is OEZMBIYHJPLFNP-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(8-2)3-4-6-7/h4-5,7H,3H2,1-2H3/b6-4+.
What are the key properties of (NE)-N-(3-methoxybutylidene)hydroxylamine?
(NE)-N-(3-methoxybutylidene)hydroxylamine has a molecular weight of 117.15 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methoxybutylidene)hydroxylamine is sourced from PubChem (CID 177477593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).