(NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine

C8H15N3O2 — CID 135509155

IUPAC(NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine
SMILESCC1(C)N=C(/C=N/O)C(C)(C)N1O
InChIInChI=1S/C8H15N3O2/c1-7(2)6(5-9-12)10-8(3,4)11(7)13/h5,12-13H,1-4H3/b9-5+
InChIKeyAZWKRLPBJNSCBP-WEVVVXLNSA-N
MW185.23 g/mol
LogP1.11
Rot. Bonds1

About (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine (PubChem CID 135509155) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine
PubChem CID135509155
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine
SMILESCC1(C)N=C(/C=N/O)C(C)(C)N1O
InChIInChI=1S/C8H15N3O2/c1-7(2)6(5-9-12)10-8(3,4)11(7)13/h5,12-13H,1-4H3/b9-5+
InChIKeyAZWKRLPBJNSCBP-WEVVVXLNSA-N
XLogP1.11
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine (CID 135509155) is (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine is CC1(C)N=C(/C=N/O)C(C)(C)N1O.
What is the InChIKey of (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine?
The InChIKey is AZWKRLPBJNSCBP-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(2)6(5-9-12)10-8(3,4)11(7)13/h5,12-13H,1-4H3/b9-5+.
What are the key properties of (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine has a molecular weight of 185.23 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135509155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).