(3E)-3-(phenylhydrazinylidene)oxan-4-one

C11H12N2O2 — CID 59908191

IUPAC(3E)-3-(phenylhydrazinylidene)oxan-4-one
SMILESO=C1CCOC/C1=N\Nc1ccccc1
InChIInChI=1S/C11H12N2O2/c14-11-6-7-15-8-10(11)13-12-9-4-2-1-3-5-9/h1-5,12H,6-8H2/b13-10+
InChIKeyDKQFYJIPOKIJIV-JLHYYAGUSA-N
MW204.23 g/mol
LogP1.44
Rot. Bonds2

About (3E)-3-(phenylhydrazinylidene)oxan-4-one

(3E)-3-(phenylhydrazinylidene)oxan-4-one (PubChem CID 59908191) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3E)-3-(phenylhydrazinylidene)oxan-4-one.

Molecular Properties

Compound Name(3E)-3-(phenylhydrazinylidene)oxan-4-one
PubChem CID59908191
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(3E)-3-(phenylhydrazinylidene)oxan-4-one
SMILESO=C1CCOC/C1=N\Nc1ccccc1
InChIInChI=1S/C11H12N2O2/c14-11-6-7-15-8-10(11)13-12-9-4-2-1-3-5-9/h1-5,12H,6-8H2/b13-10+
InChIKeyDKQFYJIPOKIJIV-JLHYYAGUSA-N
XLogP1.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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 (3E)-3-(phenylhydrazinylidene)oxan-4-one?
The IUPAC name of (3E)-3-(phenylhydrazinylidene)oxan-4-one (CID 59908191) is (3E)-3-(phenylhydrazinylidene)oxan-4-one.
What is the SMILES notation for (3E)-3-(phenylhydrazinylidene)oxan-4-one?
The canonical SMILES for (3E)-3-(phenylhydrazinylidene)oxan-4-one is O=C1CCOC/C1=N\Nc1ccccc1.
What is the InChIKey of (3E)-3-(phenylhydrazinylidene)oxan-4-one?
The InChIKey is DKQFYJIPOKIJIV-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11-6-7-15-8-10(11)13-12-9-4-2-1-3-5-9/h1-5,12H,6-8H2/b13-10+.
What are the key properties of (3E)-3-(phenylhydrazinylidene)oxan-4-one?
(3E)-3-(phenylhydrazinylidene)oxan-4-one has a molecular weight of 204.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(phenylhydrazinylidene)oxan-4-one is sourced from PubChem (CID 59908191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).