(E,4Z)-4-aminooxyiminohex-2-en-3-ol

C6H12N2O2 — CID 166843845

IUPAC(E,4Z)-4-aminooxyiminohex-2-en-3-ol
SMILESC/C=C(O)\C(CC)=N/ON
InChIInChI=1S/C6H12N2O2/c1-3-5(8-10-7)6(9)4-2/h4,9H,3,7H2,1-2H3/b6-4+,8-5-
InChIKeyMKIZGOAVCUDLRH-NDWVUGOJSA-N
MW144.17 g/mol
LogP1.10
Rot. Bonds3

About (E,4Z)-4-aminooxyiminohex-2-en-3-ol

(E,4Z)-4-aminooxyiminohex-2-en-3-ol (PubChem CID 166843845) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (E,4Z)-4-aminooxyiminohex-2-en-3-ol.

Molecular Properties

Compound Name(E,4Z)-4-aminooxyiminohex-2-en-3-ol
PubChem CID166843845
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(E,4Z)-4-aminooxyiminohex-2-en-3-ol
SMILESC/C=C(O)\C(CC)=N/ON
InChIInChI=1S/C6H12N2O2/c1-3-5(8-10-7)6(9)4-2/h4,9H,3,7H2,1-2H3/b6-4+,8-5-
InChIKeyMKIZGOAVCUDLRH-NDWVUGOJSA-N
XLogP1.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (E,4Z)-4-aminooxyiminohex-2-en-3-ol?
The IUPAC name of (E,4Z)-4-aminooxyiminohex-2-en-3-ol (CID 166843845) is (E,4Z)-4-aminooxyiminohex-2-en-3-ol.
What is the SMILES notation for (E,4Z)-4-aminooxyiminohex-2-en-3-ol?
The canonical SMILES for (E,4Z)-4-aminooxyiminohex-2-en-3-ol is C/C=C(O)\C(CC)=N/ON.
What is the InChIKey of (E,4Z)-4-aminooxyiminohex-2-en-3-ol?
The InChIKey is MKIZGOAVCUDLRH-NDWVUGOJSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5(8-10-7)6(9)4-2/h4,9H,3,7H2,1-2H3/b6-4+,8-5-.
What are the key properties of (E,4Z)-4-aminooxyiminohex-2-en-3-ol?
(E,4Z)-4-aminooxyiminohex-2-en-3-ol has a molecular weight of 144.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-4-aminooxyiminohex-2-en-3-ol is sourced from PubChem (CID 166843845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).