ethane;(3Z)-3-hydroxyiminobutan-1-ol

C6H15NO2 — CID 145378257

IUPACethane;(3Z)-3-hydroxyiminobutan-1-ol
SMILESC/C(CCO)=N/O.CC
InChIInChI=1S/C4H9NO2.C2H6/c1-4(5-7)2-3-6;1-2/h6-7H,2-3H2,1H3;1-2H3/b5-4-;
InChIKeyLLAALEMJJVZCFX-MKWAYWHRSA-N
MW133.19 g/mol
LogP1.25
Rot. Bonds2

About ethane;(3Z)-3-hydroxyiminobutan-1-ol

ethane;(3Z)-3-hydroxyiminobutan-1-ol (PubChem CID 145378257) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is ethane;(3Z)-3-hydroxyiminobutan-1-ol.

Molecular Properties

Compound Nameethane;(3Z)-3-hydroxyiminobutan-1-ol
PubChem CID145378257
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Nameethane;(3Z)-3-hydroxyiminobutan-1-ol
SMILESC/C(CCO)=N/O.CC
InChIInChI=1S/C4H9NO2.C2H6/c1-4(5-7)2-3-6;1-2/h6-7H,2-3H2,1H3;1-2H3/b5-4-;
InChIKeyLLAALEMJJVZCFX-MKWAYWHRSA-N
XLogP1.25
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 ethane;(3Z)-3-hydroxyiminobutan-1-ol?
The IUPAC name of ethane;(3Z)-3-hydroxyiminobutan-1-ol (CID 145378257) is ethane;(3Z)-3-hydroxyiminobutan-1-ol.
What is the SMILES notation for ethane;(3Z)-3-hydroxyiminobutan-1-ol?
The canonical SMILES for ethane;(3Z)-3-hydroxyiminobutan-1-ol is C/C(CCO)=N/O.CC.
What is the InChIKey of ethane;(3Z)-3-hydroxyiminobutan-1-ol?
The InChIKey is LLAALEMJJVZCFX-MKWAYWHRSA-N. The full InChI is InChI=1S/C4H9NO2.C2H6/c1-4(5-7)2-3-6;1-2/h6-7H,2-3H2,1H3;1-2H3/b5-4-;.
What are the key properties of ethane;(3Z)-3-hydroxyiminobutan-1-ol?
ethane;(3Z)-3-hydroxyiminobutan-1-ol has a molecular weight of 133.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-hydroxyiminobutan-1-ol is sourced from PubChem (CID 145378257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).