SFEKTPODPIECNA-ACFHMISVSA-N

C₁₂H₁₆N₂O₂ — CID 135602130

About SFEKTPODPIECNA-ACFHMISVSA-N

SFEKTPODPIECNA-ACFHMISVSA-N (PubChem CID 135602130) has the molecular formula C₁₂H₁₆N₂O₂ and a molecular weight of 220.27 g/mol. Its IUPAC name is (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine.

Molecular Properties

• Compound Name: SFEKTPODPIECNA-ACFHMISVSA-N
• PubChem CID: 135602130
• Molecular Formula: C₁₂H₁₆N₂O₂
• Molecular Weight: 220.27 g/mol
• Exact Mass: 220.12
• IUPAC Name: (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine
• SMILES: Cc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O
• InChI: InChI=1S/C12H16N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h5-6,15-16H,1-4H3/b13-5+,14-6+
• InChIKey: SFEKTPODPIECNA-ACFHMISVSA-N
• XLogP: 2.54
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.27
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of SFEKTPODPIECNA-ACFHMISVSA-N?

The IUPAC name of SFEKTPODPIECNA-ACFHMISVSA-N (CID 135602130) is (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine.

What is the SMILES notation for SFEKTPODPIECNA-ACFHMISVSA-N?

The canonical SMILES for SFEKTPODPIECNA-ACFHMISVSA-N is Cc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O.

What is the InChIKey of SFEKTPODPIECNA-ACFHMISVSA-N?

The InChIKey is SFEKTPODPIECNA-ACFHMISVSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h5-6,15-16H,1-4H3/b13-5+,14-6+.

What are the key properties of SFEKTPODPIECNA-ACFHMISVSA-N?

SFEKTPODPIECNA-ACFHMISVSA-N has a molecular weight of 220.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for SFEKTPODPIECNA-ACFHMISVSA-N is sourced from PubChem (CID 135602130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135602130 — identifiers, structure, computed properties (public domain)

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