O-(1-but-1-enoxypropan-2-yl)hydroxylamine

C7H15NO2 — CID 123265440

IUPACO-(1-but-1-enoxypropan-2-yl)hydroxylamine
SMILESCCC=COCC(C)ON
InChIInChI=1S/C7H15NO2/c1-3-4-5-9-6-7(2)10-8/h4-5,7H,3,6,8H2,1-2H3
InChIKeyRPDKWHFJXHYPTL-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.21
Rot. Bonds5

About O-(1-but-1-enoxypropan-2-yl)hydroxylamine

O-(1-but-1-enoxypropan-2-yl)hydroxylamine (PubChem CID 123265440) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is O-(1-but-1-enoxypropan-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1-but-1-enoxypropan-2-yl)hydroxylamine
PubChem CID123265440
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameO-(1-but-1-enoxypropan-2-yl)hydroxylamine
SMILESCCC=COCC(C)ON
InChIInChI=1S/C7H15NO2/c1-3-4-5-9-6-7(2)10-8/h4-5,7H,3,6,8H2,1-2H3
InChIKeyRPDKWHFJXHYPTL-UHFFFAOYSA-N
XLogP1.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-But-1-enoxyoxetane
CID 70631552

Frequently Asked Questions

What is the IUPAC name of O-(1-but-1-enoxypropan-2-yl)hydroxylamine?
The IUPAC name of O-(1-but-1-enoxypropan-2-yl)hydroxylamine (CID 123265440) is O-(1-but-1-enoxypropan-2-yl)hydroxylamine.
What is the SMILES notation for O-(1-but-1-enoxypropan-2-yl)hydroxylamine?
The canonical SMILES for O-(1-but-1-enoxypropan-2-yl)hydroxylamine is CCC=COCC(C)ON.
What is the InChIKey of O-(1-but-1-enoxypropan-2-yl)hydroxylamine?
The InChIKey is RPDKWHFJXHYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-5-9-6-7(2)10-8/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of O-(1-but-1-enoxypropan-2-yl)hydroxylamine?
O-(1-but-1-enoxypropan-2-yl)hydroxylamine has a molecular weight of 145.20 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-but-1-enoxypropan-2-yl)hydroxylamine is sourced from PubChem (CID 123265440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).