(NE)-N-butylidenehydroxylamine

C4H9NO — CID 5324278

IUPAC(NE)-N-butylidenehydroxylamine
SMILESCCC/C=N/O
InChIInChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3/b5-4+
InChIKeyKGGVGTQEGGOZRN-SNAWJCMRSA-N
MW87.12 g/mol
LogP1.25
Rot. Bonds2

About (NE)-N-butylidenehydroxylamine

(NE)-N-butylidenehydroxylamine (PubChem CID 5324278) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (NE)-N-butylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-butylidenehydroxylamine
PubChem CID5324278
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(NE)-N-butylidenehydroxylamine
SMILESCCC/C=N/O
InChIInChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3/b5-4+
InChIKeyKGGVGTQEGGOZRN-SNAWJCMRSA-N
XLogP1.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butylidenehydroxylamine?
The IUPAC name of (NE)-N-butylidenehydroxylamine (CID 5324278) is (NE)-N-butylidenehydroxylamine.
What is the SMILES notation for (NE)-N-butylidenehydroxylamine?
The canonical SMILES for (NE)-N-butylidenehydroxylamine is CCC/C=N/O.
What is the InChIKey of (NE)-N-butylidenehydroxylamine?
The InChIKey is KGGVGTQEGGOZRN-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3/b5-4+.
What are the key properties of (NE)-N-butylidenehydroxylamine?
(NE)-N-butylidenehydroxylamine has a molecular weight of 87.12 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-butylidenehydroxylamine is sourced from PubChem (CID 5324278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).