(4E)-4-hydroxyiminoheptan-3-one

C7H13NO2 — CID 18594319

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

About (4E)-4-hydroxyiminoheptan-3-one

(4E)-4-hydroxyiminoheptan-3-one (PubChem CID 18594319) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4E)-4-hydroxyiminoheptan-3-one.

Molecular Properties

Compound Name(4E)-4-hydroxyiminoheptan-3-one
PubChem CID18594319
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4E)-4-hydroxyiminoheptan-3-one
SMILESCCC/C(=N\O)C(=O)CC
InChIInChI=1S/C7H13NO2/c1-3-5-6(8-10)7(9)4-2/h10H,3-5H2,1-2H3/b8-6+
InChIKeyDTWSLGRGWJGOJT-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_one_A(321)', '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

4,5-dipropyloct-4-ene-3,6-dione
CID 142732258
2-hydroxyiminohexanoic acid
CID 6399040
2-hydroxyiminoheptanoic acid
CID 134822061
3-methyliminohexan-2-one
CID 123425712
dimagnesium;butanoate;propanoate
CID 19914218
methyl (2Z)-2-hydroxyiminobutanoate
CID 19738587
N,N'-bis(heptan-4-ylideneamino)oxamide
CID 3704991
4-methylideneheptan-3-one
CID 13485259
potassium butanoate
CID 23677461
tetrapotassium;butanoate
CID 140982885
silver butanoate
CID 14944495
strontium butanoate
CID 19035288

Frequently Asked Questions

What is the IUPAC name of (4E)-4-hydroxyiminoheptan-3-one?
The IUPAC name of (4E)-4-hydroxyiminoheptan-3-one (CID 18594319) is (4E)-4-hydroxyiminoheptan-3-one.
What is the SMILES notation for (4E)-4-hydroxyiminoheptan-3-one?
The canonical SMILES for (4E)-4-hydroxyiminoheptan-3-one is CCC/C(=N\O)C(=O)CC.
What is the InChIKey of (4E)-4-hydroxyiminoheptan-3-one?
The InChIKey is DTWSLGRGWJGOJT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-6(8-10)7(9)4-2/h10H,3-5H2,1-2H3/b8-6+.
What are the key properties of (4E)-4-hydroxyiminoheptan-3-one?
(4E)-4-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 (4E)-4-hydroxyiminoheptan-3-one is sourced from PubChem (CID 18594319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).