(4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one

C8H14N2O3 — CID 22145520

IUPAC(4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one
SMILESCC1(C)C(=O)/C(=N\O)C(C)(C)N1O
InChIInChI=1S/C8H14N2O3/c1-7(2)5(9-12)6(11)8(3,4)10(7)13/h12-13H,1-4H3/b9-5+
InChIKeyAEQZAJRRQMZVEK-WEVVVXLNSA-N
MW186.21 g/mol
LogP0.65
Rot. Bonds

About (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one

(4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one (PubChem CID 22145520) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one.

Molecular Properties

Compound Name(4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one
PubChem CID22145520
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one
SMILESCC1(C)C(=O)/C(=N\O)C(C)(C)N1O
InChIInChI=1S/C8H14N2O3/c1-7(2)5(9-12)6(11)8(3,4)10(7)13/h12-13H,1-4H3/b9-5+
InChIKeyAEQZAJRRQMZVEK-WEVVVXLNSA-N
XLogP0.65
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one?
The IUPAC name of (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one (CID 22145520) is (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one.
What is the SMILES notation for (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one?
The canonical SMILES for (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one is CC1(C)C(=O)/C(=N\O)C(C)(C)N1O.
What is the InChIKey of (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one?
The InChIKey is AEQZAJRRQMZVEK-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-7(2)5(9-12)6(11)8(3,4)10(7)13/h12-13H,1-4H3/b9-5+.
What are the key properties of (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one?
(4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one has a molecular weight of 186.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-hydroxy-4-hydroxyimino-2,2,5,5-tetramethylpyrrolidin-3-one is sourced from PubChem (CID 22145520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).