N-butan-2-ylidenehydroxylamine

C4H9NO — CID 7292

IUPACN-butan-2-ylidenehydroxylamine
SMILESCCC(C)=NO
InChIInChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3
InChIKeyWHIVNJATOVLWBW-UHFFFAOYSA-N
MW87.12 g/mol
LogP1.25
Rot. Bonds1

About N-butan-2-ylidenehydroxylamine

N-butan-2-ylidenehydroxylamine (PubChem CID 7292) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is N-butan-2-ylidenehydroxylamine.

Molecular Properties

Compound NameN-butan-2-ylidenehydroxylamine
PubChem CID7292
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC NameN-butan-2-ylidenehydroxylamine
SMILESCCC(C)=NO
InChIInChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3
InChIKeyWHIVNJATOVLWBW-UHFFFAOYSA-N
XLogP1.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 N-butan-2-ylidenehydroxylamine?
The IUPAC name of N-butan-2-ylidenehydroxylamine (CID 7292) is N-butan-2-ylidenehydroxylamine.
What is the SMILES notation for N-butan-2-ylidenehydroxylamine?
The canonical SMILES for N-butan-2-ylidenehydroxylamine is CCC(C)=NO.
What is the InChIKey of N-butan-2-ylidenehydroxylamine?
The InChIKey is WHIVNJATOVLWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3.
What are the key properties of N-butan-2-ylidenehydroxylamine?
N-butan-2-ylidenehydroxylamine has a molecular weight of 87.12 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylidenehydroxylamine is sourced from PubChem (CID 7292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).