nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one

C9H17N3O6 — CID 174719874

IUPACnitro nitrate;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.O=[N+]([O-])O[N+](=O)[O-]
InChIInChI=1S/C9H17NO.N2O5/c1-8(2)5-7(11)6-9(3,4)10-8;3-1(4)7-2(5)6/h10H,5-6H2,1-4H3;
InChIKeyXFQDCALUAXPZON-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.88
Rot. Bonds2

About nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one

nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 174719874) has the molecular formula C9H17N3O6 and a molecular weight of 263.25 g/mol. Its IUPAC name is nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Namenitro nitrate;2,2,6,6-tetramethylpiperidin-4-one
PubChem CID174719874
Molecular FormulaC9H17N3O6
Molecular Weight263.25 g/mol
Exact Mass263.11
IUPAC Namenitro nitrate;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.O=[N+]([O-])O[N+](=O)[O-]
InChIInChI=1S/C9H17NO.N2O5/c1-8(2)5-7(11)6-9(3,4)10-8;3-1(4)7-2(5)6/h10H,5-6H2,1-4H3;
InChIKeyXFQDCALUAXPZON-UHFFFAOYSA-N
XLogP0.88
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-Tetramethyl-4-piperidone
CID 13220
4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrate
CID 22397602
2,2,6,6-Tetramethyl(~15~N)piperidin-4-one
CID 10888153
2,2,6,6-Tetramethyl-4-oxopiperidinium nitrate
CID 129746723
2,2,6,6-Tetramethyl-4-piperidinone 1-oxide
CID 12610996
1-Hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one
CID 22089044
2,2,6,6-Tetramethylpiperidin-1-ium-4-one
CID 3539134
Perchloric acid--2,2,6,6-tetramethylpiperidin-4-one (1/1)
CID 71399503
3,3,5,5-Tetradeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-one
CID 15619864
4-Oxo-2,2,6,6-tetramethylpiperidine-d17-1-15N, 98 atom % D, 98 atom % 15N
CID 15619866
1-Deuterio-2,2,6,6-tetramethylpiperidin-4-one
CID 18660815
Hypochlorous acid;2,2,6,6-tetramethylpiperidin-4-one
CID 69357273

Frequently Asked Questions

What is the IUPAC name of nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one (CID 174719874) is nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1.O=[N+]([O-])O[N+](=O)[O-].
What is the InChIKey of nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is XFQDCALUAXPZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.N2O5/c1-8(2)5-7(11)6-9(3,4)10-8;3-1(4)7-2(5)6/h10H,5-6H2,1-4H3;.
What are the key properties of nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one?
nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 263.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for nitro nitrate;2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 174719874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).