1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone

C₁₅H₁₇NO₂ — CID 135435988

About 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone

1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone (PubChem CID 135435988) has the molecular formula C₁₅H₁₇NO₂ and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone
• PubChem CID: 135435988
• Molecular Formula: C₁₅H₁₇NO₂
• Molecular Weight: 243.31 g/mol
• Exact Mass: 243.13
• IUPAC Name: 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone
• SMILES: CC(=O)C1=C(O)CC/C1=N\CCc1ccccc1
• InChI: InChI=1S/C15H17NO2/c1-11(17)15-13(7-8-14(15)18)16-10-9-12-5-3-2-4-6-12/h2-6,18H,7-10H2,1H3/b16-13+
• InChIKey: XOQCLUZZFPZUNM-DTQAZKPQSA-N
• XLogP: 2.87
• TPSA: 49.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.31
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone?

The IUPAC name of 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone (CID 135435988) is 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone.

What is the SMILES notation for 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone?

The canonical SMILES for 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone is CC(=O)C1=C(O)CC/C1=N\CCc1ccccc1.

What is the InChIKey of 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone?

The InChIKey is XOQCLUZZFPZUNM-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(17)15-13(7-8-14(15)18)16-10-9-12-5-3-2-4-6-12/h2-6,18H,7-10H2,1H3/b16-13+.

What are the key properties of 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone?

1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone is sourced from PubChem (CID 135435988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135435988 — identifiers, structure, computed properties (public domain)

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