O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane

C6H16N2O — CID 176658687

IUPACO-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane
SMILESC/C(N)=C(\C)ON.CC
InChIInChI=1S/C4H10N2O.C2H6/c1-3(5)4(2)7-6;1-2/h5-6H2,1-2H3;1-2H3/b4-3-;
InChIKeyXXUYNAXOOSUOKQ-LNKPDPKZSA-N
MW132.21 g/mol
LogP1.11
Rot. Bonds1

About O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane

O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane (PubChem CID 176658687) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane.

Molecular Properties

Compound NameO-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane
PubChem CID176658687
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC NameO-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane
SMILESC/C(N)=C(\C)ON.CC
InChIInChI=1S/C4H10N2O.C2H6/c1-3(5)4(2)7-6;1-2/h5-6H2,1-2H3;1-2H3/b4-3-;
InChIKeyXXUYNAXOOSUOKQ-LNKPDPKZSA-N
XLogP1.11
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane?
The IUPAC name of O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane (CID 176658687) is O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane.
What is the SMILES notation for O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane?
The canonical SMILES for O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane is C/C(N)=C(\C)ON.CC.
What is the InChIKey of O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane?
The InChIKey is XXUYNAXOOSUOKQ-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H10N2O.C2H6/c1-3(5)4(2)7-6;1-2/h5-6H2,1-2H3;1-2H3/b4-3-;.
What are the key properties of O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane?
O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane has a molecular weight of 132.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-3-aminobut-2-en-2-yl]hydroxylamine;ethane is sourced from PubChem (CID 176658687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).