1-(4-hydroxyiminopiperidin-1-yl)ethanone

C7H12N2O2 — CID 15707988

IUPAC1-(4-hydroxyiminopiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(=NO)CC1
InChIInChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(8-11)3-5-9/h11H,2-5H2,1H3
InChIKeyLGYZFQBEYRBOFM-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.46
Rot. Bonds

About 1-(4-hydroxyiminopiperidin-1-yl)ethanone

1-(4-hydroxyiminopiperidin-1-yl)ethanone (PubChem CID 15707988) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)ethanone
PubChem CID15707988
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(=NO)CC1
InChIInChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(8-11)3-5-9/h11H,2-5H2,1H3
InChIKeyLGYZFQBEYRBOFM-UHFFFAOYSA-N
XLogP0.46
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.46
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 1-(4-hydroxyiminopiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)ethanone (CID 15707988) is 1-(4-hydroxyiminopiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)ethanone is CC(=O)N1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)ethanone?
The InChIKey is LGYZFQBEYRBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(8-11)3-5-9/h11H,2-5H2,1H3.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)ethanone?
1-(4-hydroxyiminopiperidin-1-yl)ethanone has a molecular weight of 156.19 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyiminopiperidin-1-yl)ethanone is sourced from PubChem (CID 15707988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).