(5E)-5-hydroxyiminoheptan-3-one

C7H13NO2 — CID 88798482

IUPAC(5E)-5-hydroxyiminoheptan-3-one
SMILESCCC(=O)C/C(CC)=N/O
InChIInChI=1S/C7H13NO2/c1-3-6(8-10)5-7(9)4-2/h10H,3-5H2,1-2H3/b8-6+
InChIKeyVGGRTVDKKUSQHC-SOFGYWHQSA-N
MW143.19 g/mol
LogP1.60
Rot. Bonds4

About (5E)-5-hydroxyiminoheptan-3-one

(5E)-5-hydroxyiminoheptan-3-one (PubChem CID 88798482) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (5E)-5-hydroxyiminoheptan-3-one.

Molecular Properties

Compound Name(5E)-5-hydroxyiminoheptan-3-one
PubChem CID88798482
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(5E)-5-hydroxyiminoheptan-3-one
SMILESCCC(=O)C/C(CC)=N/O
InChIInChI=1S/C7H13NO2/c1-3-6(8-10)5-7(9)4-2/h10H,3-5H2,1-2H3/b8-6+
InChIKeyVGGRTVDKKUSQHC-SOFGYWHQSA-N
XLogP1.60
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
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 (5E)-5-hydroxyiminoheptan-3-one?
The IUPAC name of (5E)-5-hydroxyiminoheptan-3-one (CID 88798482) is (5E)-5-hydroxyiminoheptan-3-one.
What is the SMILES notation for (5E)-5-hydroxyiminoheptan-3-one?
The canonical SMILES for (5E)-5-hydroxyiminoheptan-3-one is CCC(=O)C/C(CC)=N/O.
What is the InChIKey of (5E)-5-hydroxyiminoheptan-3-one?
The InChIKey is VGGRTVDKKUSQHC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6(8-10)5-7(9)4-2/h10H,3-5H2,1-2H3/b8-6+.
What are the key properties of (5E)-5-hydroxyiminoheptan-3-one?
(5E)-5-hydroxyiminoheptan-3-one has a molecular weight of 143.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyiminoheptan-3-one is sourced from PubChem (CID 88798482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).