(2Z)-2-hydroxyiminohexanoic acid

C6H11NO3 — CID 6413079

IUPAC(2Z)-2-hydroxyiminohexanoic acid
SMILESCCCC/C(=N/O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-4-5(7-10)6(8)9/h10H,2-4H2,1H3,(H,8,9)/b7-5-
InChIKeyYNHDBHLHJZFURN-ALCCZGGFSA-N
MW145.16 g/mol
LogP1.09
Rot. Bonds4

About (2Z)-2-hydroxyiminohexanoic acid

(2Z)-2-hydroxyiminohexanoic acid (PubChem CID 6413079) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2Z)-2-hydroxyiminohexanoic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyiminohexanoic acid
PubChem CID6413079
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2Z)-2-hydroxyiminohexanoic acid
SMILESCCCC/C(=N/O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-2-3-4-5(7-10)6(8)9/h10H,2-4H2,1H3,(H,8,9)/b7-5-
InChIKeyYNHDBHLHJZFURN-ALCCZGGFSA-N
XLogP1.09
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.09
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 (2Z)-2-hydroxyiminohexanoic acid?
The IUPAC name of (2Z)-2-hydroxyiminohexanoic acid (CID 6413079) is (2Z)-2-hydroxyiminohexanoic acid.
What is the SMILES notation for (2Z)-2-hydroxyiminohexanoic acid?
The canonical SMILES for (2Z)-2-hydroxyiminohexanoic acid is CCCC/C(=N/O)C(=O)O.
What is the InChIKey of (2Z)-2-hydroxyiminohexanoic acid?
The InChIKey is YNHDBHLHJZFURN-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-3-4-5(7-10)6(8)9/h10H,2-4H2,1H3,(H,8,9)/b7-5-.
What are the key properties of (2Z)-2-hydroxyiminohexanoic acid?
(2Z)-2-hydroxyiminohexanoic acid has a molecular weight of 145.16 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyiminohexanoic acid is sourced from PubChem (CID 6413079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).