(Z,4Z)-4-hydroxyiminohex-2-en-3-ol

C6H11NO2 — CID 100921291

IUPAC(Z,4Z)-4-hydroxyiminohex-2-en-3-ol
SMILESC/C=C(O)/C(CC)=N\O
InChIInChI=1S/C6H11NO2/c1-3-5(7-9)6(8)4-2/h4,8-9H,3H2,1-2H3/b6-4-,7-5-
InChIKeyOMUOWQXIPXSPGP-PEPZGXQESA-N
MW129.16 g/mol
LogP1.69
Rot. Bonds2

About (Z,4Z)-4-hydroxyiminohex-2-en-3-ol

(Z,4Z)-4-hydroxyiminohex-2-en-3-ol (PubChem CID 100921291) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (Z,4Z)-4-hydroxyiminohex-2-en-3-ol.

Molecular Properties

Compound Name(Z,4Z)-4-hydroxyiminohex-2-en-3-ol
PubChem CID100921291
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(Z,4Z)-4-hydroxyiminohex-2-en-3-ol
SMILESC/C=C(O)/C(CC)=N\O
InChIInChI=1S/C6H11NO2/c1-3-5(7-9)6(8)4-2/h4,8-9H,3H2,1-2H3/b6-4-,7-5-
InChIKeyOMUOWQXIPXSPGP-PEPZGXQESA-N
XLogP1.69
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

6-Hydroxyiminocyclohexa-1,3-dien-1-ol
CID 87408382
(E)-5-iminohept-3-en-4-ol
CID 163982995
(E,4Z)-4-aminooxyiminohex-2-en-3-ol
CID 166843845
(Z,4E)-4-hydroxyiminopent-2-en-3-ol
CID 15392833
(E)-4-methyliminohex-2-en-3-ol
CID 143063242

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-hydroxyiminohex-2-en-3-ol?
The IUPAC name of (Z,4Z)-4-hydroxyiminohex-2-en-3-ol (CID 100921291) is (Z,4Z)-4-hydroxyiminohex-2-en-3-ol.
What is the SMILES notation for (Z,4Z)-4-hydroxyiminohex-2-en-3-ol?
The canonical SMILES for (Z,4Z)-4-hydroxyiminohex-2-en-3-ol is C/C=C(O)/C(CC)=N\O.
What is the InChIKey of (Z,4Z)-4-hydroxyiminohex-2-en-3-ol?
The InChIKey is OMUOWQXIPXSPGP-PEPZGXQESA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(7-9)6(8)4-2/h4,8-9H,3H2,1-2H3/b6-4-,7-5-.
What are the key properties of (Z,4Z)-4-hydroxyiminohex-2-en-3-ol?
(Z,4Z)-4-hydroxyiminohex-2-en-3-ol has a molecular weight of 129.16 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-hydroxyiminohex-2-en-3-ol is sourced from PubChem (CID 100921291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).