O-[(Z)-but-1-enyl]hydroxylamine;ethane

C6H15NO — CID 144998470

IUPACO-[(Z)-but-1-enyl]hydroxylamine;ethane
SMILESCC.CC/C=C\ON
InChIInChI=1S/C4H9NO.C2H6/c1-2-3-4-6-5;1-2/h3-4H,2,5H2,1H3;1-2H3/b4-3-;
InChIKeyTWOZFMPUTWUNAR-LNKPDPKZSA-N
MW117.19 g/mol
LogP1.83
Rot. Bonds2

About O-[(Z)-but-1-enyl]hydroxylamine;ethane

O-[(Z)-but-1-enyl]hydroxylamine;ethane (PubChem CID 144998470) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is O-[(Z)-but-1-enyl]hydroxylamine;ethane.

Molecular Properties

Compound NameO-[(Z)-but-1-enyl]hydroxylamine;ethane
PubChem CID144998470
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC NameO-[(Z)-but-1-enyl]hydroxylamine;ethane
SMILESCC.CC/C=C\ON
InChIInChI=1S/C4H9NO.C2H6/c1-2-3-4-6-5;1-2/h3-4H,2,5H2,1H3;1-2H3/b4-3-;
InChIKeyTWOZFMPUTWUNAR-LNKPDPKZSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-but-1-enyl]hydroxylamine;ethane?
The IUPAC name of O-[(Z)-but-1-enyl]hydroxylamine;ethane (CID 144998470) is O-[(Z)-but-1-enyl]hydroxylamine;ethane.
What is the SMILES notation for O-[(Z)-but-1-enyl]hydroxylamine;ethane?
The canonical SMILES for O-[(Z)-but-1-enyl]hydroxylamine;ethane is CC.CC/C=C\ON.
What is the InChIKey of O-[(Z)-but-1-enyl]hydroxylamine;ethane?
The InChIKey is TWOZFMPUTWUNAR-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H9NO.C2H6/c1-2-3-4-6-5;1-2/h3-4H,2,5H2,1H3;1-2H3/b4-3-;.
What are the key properties of O-[(Z)-but-1-enyl]hydroxylamine;ethane?
O-[(Z)-but-1-enyl]hydroxylamine;ethane has a molecular weight of 117.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-but-1-enyl]hydroxylamine;ethane is sourced from PubChem (CID 144998470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).