(4Z)-4-hydroxyiminopentan-1-ol

C5H11NO2 — CID 22377873

IUPAC(4Z)-4-hydroxyiminopentan-1-ol
SMILESC/C(CCCO)=N/O
InChIInChI=1S/C5H11NO2/c1-5(6-8)3-2-4-7/h7-8H,2-4H2,1H3/b6-5-
InChIKeyKDAHYAABBPDAQG-WAYWQWQTSA-N
MW117.15 g/mol
LogP0.61
Rot. Bonds3

About (4Z)-4-hydroxyiminopentan-1-ol

(4Z)-4-hydroxyiminopentan-1-ol (PubChem CID 22377873) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (4Z)-4-hydroxyiminopentan-1-ol.

Molecular Properties

Compound Name(4Z)-4-hydroxyiminopentan-1-ol
PubChem CID22377873
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(4Z)-4-hydroxyiminopentan-1-ol
SMILESC/C(CCCO)=N/O
InChIInChI=1S/C5H11NO2/c1-5(6-8)3-2-4-7/h7-8H,2-4H2,1H3/b6-5-
InChIKeyKDAHYAABBPDAQG-WAYWQWQTSA-N
XLogP0.61
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.61
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 (4Z)-4-hydroxyiminopentan-1-ol?
The IUPAC name of (4Z)-4-hydroxyiminopentan-1-ol (CID 22377873) is (4Z)-4-hydroxyiminopentan-1-ol.
What is the SMILES notation for (4Z)-4-hydroxyiminopentan-1-ol?
The canonical SMILES for (4Z)-4-hydroxyiminopentan-1-ol is C/C(CCCO)=N/O.
What is the InChIKey of (4Z)-4-hydroxyiminopentan-1-ol?
The InChIKey is KDAHYAABBPDAQG-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(6-8)3-2-4-7/h7-8H,2-4H2,1H3/b6-5-.
What are the key properties of (4Z)-4-hydroxyiminopentan-1-ol?
(4Z)-4-hydroxyiminopentan-1-ol has a molecular weight of 117.15 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyiminopentan-1-ol is sourced from PubChem (CID 22377873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).