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

C15H17NO2 — CID 135435988

IUPAC1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=C(O)CC/C1=N\CCc1ccccc1
InChIInChI=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+
InChIKeyXOQCLUZZFPZUNM-DTQAZKPQSA-N
MW243.31 g/mol
LogP2.87
Rot. Bonds4

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 Name1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone
PubChem CID135435988
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[2-hydroxy-5-(2-phenylethylimino)cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=C(O)CC/C1=N\CCc1ccccc1
InChIInChI=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+
InChIKeyXOQCLUZZFPZUNM-DTQAZKPQSA-N
XLogP2.87
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Butylamino)methylene]-5-phenyl-1,3-cyclohexanedione
CID 135438786
2-(N-butan-2-yl-C-propylcarbonimidoyl)-3-hydroxy-5-phenylcyclohex-2-en-1-one
CID 135457771
2-[(Cyclopentylamino)methylidene]-5-phenylcyclohexane-1,3-dione
CID 135401651
5,5-Dimethyl-2-{[(2-phenylethyl)amino]methylene}cyclohexane-1,3-dione
CID 135421534
2-{1-[(2-Phenylethyl)amino]propylidene}cyclopentane-1,3-dione
CID 135421548
2-[(Heptylamino)methylene]-5-phenyl-1,3-cyclohexanedione
CID 135422505
2-{[(3-Methylbutyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
CID 135447671
2-{1-[(2-Phenylethyl)amino]ethylidene}-1,3-cyclopentanedione
CID 135450315
2-[(Benzylamino)methylene]-1,3-cyclohexanedione
CID 135432632
2-[1-(Methylamino)propylidene]-5-phenylcyclohexane-1,3-dione
CID 135481529
3-hydroxy-5-phenyl-2-(N-prop-2-enyl-C-propylcarbonimidoyl)cyclohex-2-en-1-one
CID 135537366
2-(C-benzyl-N-methylcarbonimidoyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135439833

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).