(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine

C₁₆H₂₁NO — CID 142575074

About (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine

(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 142575074) has the molecular formula C₁₆H₂₁NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine
• PubChem CID: 142575074
• Molecular Formula: C₁₆H₂₁NO
• Molecular Weight: 243.35 g/mol
• Exact Mass: 243.16
• IUPAC Name: (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine
• SMILES: CC(C)(C)c1ccc(C2=C(/C=N/O)CCC2)cc1
• InChI: InChI=1S/C16H21NO/c1-16(2,3)14-9-7-12(8-10-14)15-6-4-5-13(15)11-17-18/h7-11,18H,4-6H2,1-3H3/b17-11+
• InChIKey: COFCSPZVSJMCBF-GZTJUZNOSA-N
• XLogP: 4.38
• TPSA: 32.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.35
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine?

The IUPAC name of (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine (CID 142575074) is (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine.

What is the SMILES notation for (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine?

The canonical SMILES for (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine is CC(C)(C)c1ccc(C2=C(/C=N/O)CCC2)cc1.

What is the InChIKey of (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine?

The InChIKey is COFCSPZVSJMCBF-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,3)14-9-7-12(8-10-14)15-6-4-5-13(15)11-17-18/h7-11,18H,4-6H2,1-3H3/b17-11+.

What are the key properties of (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine?

(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 243.35 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142575074 — identifiers, structure, computed properties (public domain)

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