N-but-3-en-2-ylhydroxylamine

C4H9NO — CID 18467379

IUPACN-but-3-en-2-ylhydroxylamine
SMILESC=CC(C)NO
InChIInChI=1S/C4H9NO/c1-3-4(2)5-6/h3-6H,1H2,2H3
InChIKeyVRIDIEGYJUKQAC-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.54
Rot. Bonds2

About N-but-3-en-2-ylhydroxylamine

N-but-3-en-2-ylhydroxylamine (PubChem CID 18467379) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is N-but-3-en-2-ylhydroxylamine.

Molecular Properties

Compound NameN-but-3-en-2-ylhydroxylamine
PubChem CID18467379
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC NameN-but-3-en-2-ylhydroxylamine
SMILESC=CC(C)NO
InChIInChI=1S/C4H9NO/c1-3-4(2)5-6/h3-6H,1H2,2H3
InChIKeyVRIDIEGYJUKQAC-UHFFFAOYSA-N
XLogP0.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-but-3-en-2-ylhydroxylamine?
The IUPAC name of N-but-3-en-2-ylhydroxylamine (CID 18467379) is N-but-3-en-2-ylhydroxylamine.
What is the SMILES notation for N-but-3-en-2-ylhydroxylamine?
The canonical SMILES for N-but-3-en-2-ylhydroxylamine is C=CC(C)NO.
What is the InChIKey of N-but-3-en-2-ylhydroxylamine?
The InChIKey is VRIDIEGYJUKQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-4(2)5-6/h3-6H,1H2,2H3.
What are the key properties of N-but-3-en-2-ylhydroxylamine?
N-but-3-en-2-ylhydroxylamine has a molecular weight of 87.12 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylhydroxylamine is sourced from PubChem (CID 18467379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).