3-hydroxyimino-4-piperidin-1-ylbutan-2-one

C9H16N2O2 — CID 6400905

IUPAC3-hydroxyimino-4-piperidin-1-ylbutan-2-one
SMILESCC(=O)C(CN1CCCCC1)=NO
InChIInChI=1S/C9H16N2O2/c1-8(12)9(10-13)7-11-5-3-2-4-6-11/h13H,2-7H2,1H3
InChIKeyWEQUIDVWFIERJU-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.89
Rot. Bonds3

About 3-hydroxyimino-4-piperidin-1-ylbutan-2-one

3-hydroxyimino-4-piperidin-1-ylbutan-2-one (PubChem CID 6400905) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-hydroxyimino-4-piperidin-1-ylbutan-2-one.

Molecular Properties

Compound Name3-hydroxyimino-4-piperidin-1-ylbutan-2-one
PubChem CID6400905
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-hydroxyimino-4-piperidin-1-ylbutan-2-one
SMILESCC(=O)C(CN1CCCCC1)=NO
InChIInChI=1S/C9H16N2O2/c1-8(12)9(10-13)7-11-5-3-2-4-6-11/h13H,2-7H2,1H3
InChIKeyWEQUIDVWFIERJU-UHFFFAOYSA-N
XLogP0.89
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyimino-4-piperidin-1-ylbutan-2-one?
The IUPAC name of 3-hydroxyimino-4-piperidin-1-ylbutan-2-one (CID 6400905) is 3-hydroxyimino-4-piperidin-1-ylbutan-2-one.
What is the SMILES notation for 3-hydroxyimino-4-piperidin-1-ylbutan-2-one?
The canonical SMILES for 3-hydroxyimino-4-piperidin-1-ylbutan-2-one is CC(=O)C(CN1CCCCC1)=NO.
What is the InChIKey of 3-hydroxyimino-4-piperidin-1-ylbutan-2-one?
The InChIKey is WEQUIDVWFIERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(12)9(10-13)7-11-5-3-2-4-6-11/h13H,2-7H2,1H3.
What are the key properties of 3-hydroxyimino-4-piperidin-1-ylbutan-2-one?
3-hydroxyimino-4-piperidin-1-ylbutan-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyimino-4-piperidin-1-ylbutan-2-one is sourced from PubChem (CID 6400905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).