2-hydroxyimino-1-piperidin-1-ylpropan-1-one

C8H14N2O2 — CID 71404866

IUPAC2-hydroxyimino-1-piperidin-1-ylpropan-1-one
SMILESCC(=NO)C(=O)N1CCCCC1
InChIInChI=1S/C8H14N2O2/c1-7(9-12)8(11)10-5-3-2-4-6-10/h12H,2-6H2,1H3
InChIKeyKNQPZXPAMPWXNZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.85
Rot. Bonds1

About 2-hydroxyimino-1-piperidin-1-ylpropan-1-one

2-hydroxyimino-1-piperidin-1-ylpropan-1-one (PubChem CID 71404866) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-hydroxyimino-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxyimino-1-piperidin-1-ylpropan-1-one
PubChem CID71404866
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-hydroxyimino-1-piperidin-1-ylpropan-1-one
SMILESCC(=NO)C(=O)N1CCCCC1
InChIInChI=1S/C8H14N2O2/c1-7(9-12)8(11)10-5-3-2-4-6-10/h12H,2-6H2,1H3
InChIKeyKNQPZXPAMPWXNZ-UHFFFAOYSA-N
XLogP0.85
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.85
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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Related Compounds

1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
(Z)-4-(azocan-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55168115
(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide
CID 15138122
3-iodo-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 173171873
2-oxo-2-piperidin-1-ylacetamide
CID 22394328
3-methyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 71318871
2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one
CID 135013839
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-pyrrolidin-1-ylpentane-1,2,4-trione
CID 86731962
4-methyl-1-pyrrolidin-1-ylpent-3-ene-1,2-dione
CID 150340291
1-(azetidin-1-yl)ethanone
CID 14061673
(2Z)-2-hydroxyimino-N-(2-piperidin-1-ylethyl)propanamide
CID 6401184

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-hydroxyimino-1-piperidin-1-ylpropan-1-one (CID 71404866) is 2-hydroxyimino-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-hydroxyimino-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-hydroxyimino-1-piperidin-1-ylpropan-1-one is CC(=NO)C(=O)N1CCCCC1.
What is the InChIKey of 2-hydroxyimino-1-piperidin-1-ylpropan-1-one?
The InChIKey is KNQPZXPAMPWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(9-12)8(11)10-5-3-2-4-6-10/h12H,2-6H2,1H3.
What are the key properties of 2-hydroxyimino-1-piperidin-1-ylpropan-1-one?
2-hydroxyimino-1-piperidin-1-ylpropan-1-one has a molecular weight of 170.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 71404866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).