3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one

C12H12N2O2 — CID 135604836

IUPAC3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1/C=N/Nc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11-6-7-12(16)10(11)8-13-14-9-4-2-1-3-5-9/h1-5,8,14-15H,6-7H2/b13-8+
InChIKeySJHZLUZUXWUEGZ-MDWZMJQESA-N
MW216.24 g/mol
LogP2.26
Rot. Bonds3

About 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one

3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one (PubChem CID 135604836) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one
PubChem CID135604836
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one
SMILESO=C1CCC(O)=C1/C=N/Nc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11-6-7-12(16)10(11)8-13-14-9-4-2-1-3-5-9/h1-5,8,14-15H,6-7H2/b13-8+
InChIKeySJHZLUZUXWUEGZ-MDWZMJQESA-N
XLogP2.26
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one (CID 135604836) is 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one is O=C1CCC(O)=C1/C=N/Nc1ccccc1.
What is the InChIKey of 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one?
The InChIKey is SJHZLUZUXWUEGZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11-6-7-12(16)10(11)8-13-14-9-4-2-1-3-5-9/h1-5,8,14-15H,6-7H2/b13-8+.
What are the key properties of 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one?
3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one has a molecular weight of 216.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 135604836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).