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

C5H9NO2 — CID 15392833

IUPAC(Z,4E)-4-hydroxyiminopent-2-en-3-ol
SMILESC/C=C(O)/C(C)=N/O
InChIInChI=1S/C5H9NO2/c1-3-5(7)4(2)6-8/h3,7-8H,1-2H3/b5-3-,6-4+
InChIKeyYWGCATKHKSEQCH-CIIODKQPSA-N
MW115.13 g/mol
LogP1.30
Rot. Bonds1

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

(Z,4E)-4-hydroxyiminopent-2-en-3-ol (PubChem CID 15392833) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (Z,4E)-4-hydroxyiminopent-2-en-3-ol.

Molecular Properties

Compound Name(Z,4E)-4-hydroxyiminopent-2-en-3-ol
PubChem CID15392833
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(Z,4E)-4-hydroxyiminopent-2-en-3-ol
SMILESC/C=C(O)/C(C)=N/O
InChIInChI=1S/C5H9NO2/c1-3-5(7)4(2)6-8/h3,7-8H,1-2H3/b5-3-,6-4+
InChIKeyYWGCATKHKSEQCH-CIIODKQPSA-N
XLogP1.30
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.30
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

(E,4Z)-4-aminooxyiminohex-2-en-3-ol
CID 166843845
(Z,4Z)-4-hydroxyiminohex-2-en-3-ol
CID 100921291
(E)-4-iminopent-2-en-3-ol
CID 165128745

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-hydroxyiminopent-2-en-3-ol?
The IUPAC name of (Z,4E)-4-hydroxyiminopent-2-en-3-ol (CID 15392833) is (Z,4E)-4-hydroxyiminopent-2-en-3-ol.
What is the SMILES notation for (Z,4E)-4-hydroxyiminopent-2-en-3-ol?
The canonical SMILES for (Z,4E)-4-hydroxyiminopent-2-en-3-ol is C/C=C(O)/C(C)=N/O.
What is the InChIKey of (Z,4E)-4-hydroxyiminopent-2-en-3-ol?
The InChIKey is YWGCATKHKSEQCH-CIIODKQPSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-5(7)4(2)6-8/h3,7-8H,1-2H3/b5-3-,6-4+.
What are the key properties of (Z,4E)-4-hydroxyiminopent-2-en-3-ol?
(Z,4E)-4-hydroxyiminopent-2-en-3-ol has a molecular weight of 115.13 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-hydroxyiminopent-2-en-3-ol is sourced from PubChem (CID 15392833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).