(2E)-2-hydroxyimino-1-piperazin-1-ylethanone

C6H11N3O2 — CID 153463003

IUPAC(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
SMILESO=C(/C=N/O)N1CCNCC1
InChIInChI=1S/C6H11N3O2/c10-6(5-8-11)9-3-1-7-2-4-9/h5,7,11H,1-4H2/b8-5+
InChIKeyXZRSKKLANNOPHJ-VMPITWQZSA-N
MW157.17 g/mol
LogP-1.12
Rot. Bonds1

About (2E)-2-hydroxyimino-1-piperazin-1-ylethanone

(2E)-2-hydroxyimino-1-piperazin-1-ylethanone (PubChem CID 153463003) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
PubChem CID153463003
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
SMILESO=C(/C=N/O)N1CCNCC1
InChIInChI=1S/C6H11N3O2/c10-6(5-8-11)9-3-1-7-2-4-9/h5,7,11H,1-4H2/b8-5+
InChIKeyXZRSKKLANNOPHJ-VMPITWQZSA-N
XLogP-1.12
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
ethene;1-piperazin-1-ylethanone
CID 145071339
1-(1,4-diazepan-1-yl)-3-methylbut-2-en-1-one
CID 28881262
piperazine-1-carbothioic S-acid
CID 22219896
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690
2-piperazin-1-ylprop-2-enal
CID 173106377
2-imidazolidin-1-yl-2-oxoacetaldehyde
CID 174498915
1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one
CID 174975795
1-piperazin-1-ylprop-2-en-1-one;toluene
CID 160562022
piperazine-1-carboxamide;zinc
CID 175213463
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-1-piperazin-1-ylethanone?
The IUPAC name of (2E)-2-hydroxyimino-1-piperazin-1-ylethanone (CID 153463003) is (2E)-2-hydroxyimino-1-piperazin-1-ylethanone.
What is the SMILES notation for (2E)-2-hydroxyimino-1-piperazin-1-ylethanone?
The canonical SMILES for (2E)-2-hydroxyimino-1-piperazin-1-ylethanone is O=C(/C=N/O)N1CCNCC1.
What is the InChIKey of (2E)-2-hydroxyimino-1-piperazin-1-ylethanone?
The InChIKey is XZRSKKLANNOPHJ-VMPITWQZSA-N. The full InChI is InChI=1S/C6H11N3O2/c10-6(5-8-11)9-3-1-7-2-4-9/h5,7,11H,1-4H2/b8-5+.
What are the key properties of (2E)-2-hydroxyimino-1-piperazin-1-ylethanone?
(2E)-2-hydroxyimino-1-piperazin-1-ylethanone has a molecular weight of 157.17 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-1-piperazin-1-ylethanone is sourced from PubChem (CID 153463003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).