N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine

C9H17N2O2+ — CID 6420653

IUPACN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine
SMILESCC1(C)CC(=NO)CC(C)(C)[N+]1=O
InChIInChI=1S/C9H16N2O2/c1-8(2)5-7(10-12)6-9(3,4)11(8)13/h5-6H2,1-4H3/p+1
InChIKeyOVAFKYQMGBXYKN-UHFFFAOYSA-O
MW185.25 g/mol
LogP1.95
Rot. Bonds

About N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine

N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine (PubChem CID 6420653) has the molecular formula C9H17N2O2+ and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine
PubChem CID6420653
Molecular FormulaC9H17N2O2+
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC NameN-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine
SMILESCC1(C)CC(=NO)CC(C)(C)[N+]1=O
InChIInChI=1S/C9H16N2O2/c1-8(2)5-7(10-12)6-9(3,4)11(8)13/h5-6H2,1-4H3/p+1
InChIKeyOVAFKYQMGBXYKN-UHFFFAOYSA-O
XLogP1.95
TPSA52.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.95
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine?
The IUPAC name of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine (CID 6420653) is N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine?
The canonical SMILES for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine is CC1(C)CC(=NO)CC(C)(C)[N+]1=O.
What is the InChIKey of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine?
The InChIKey is OVAFKYQMGBXYKN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)5-7(10-12)6-9(3,4)11(8)13/h5-6H2,1-4H3/p+1.
What are the key properties of N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine?
N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine has a molecular weight of 185.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-ylidene)hydroxylamine is sourced from PubChem (CID 6420653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).