1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one

C9H16N2O2 — CID 24699548

IUPAC1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(=NO)CC1
InChIInChI=1S/C9H16N2O2/c1-7(2)9(12)11-5-3-8(10-13)4-6-11/h7,13H,3-6H2,1-2H3
InChIKeyPXSVBSBHPUBBCU-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.10
Rot. Bonds1

About 1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one

1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 24699548) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one
PubChem CID24699548
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(=NO)CC1
InChIInChI=1S/C9H16N2O2/c1-7(2)9(12)11-5-3-8(10-13)4-6-11/h7,13H,3-6H2,1-2H3
InChIKeyPXSVBSBHPUBBCU-UHFFFAOYSA-N
XLogP1.10
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.10
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)-2-methylpropan-1-one?
The IUPAC name of 1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one (CID 24699548) is 1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is PXSVBSBHPUBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)9(12)11-5-3-8(10-13)4-6-11/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one?
1-(4-hydroxyiminopiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 184.24 g/mol, XLogP of 1.10, 1 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)-2-methylpropan-1-one is sourced from PubChem (CID 24699548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).