1-(dimethylhydrazinylidene)-1-phenylpropan-2-one

C11H14N2O — CID 86079022

IUPAC1-(dimethylhydrazinylidene)-1-phenylpropan-2-one
SMILESCC(=O)C(=NN(C)C)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-9(14)11(12-13(2)3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyJOUHDYHFDIXXEL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.54
Rot. Bonds3

About 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one

1-(dimethylhydrazinylidene)-1-phenylpropan-2-one (PubChem CID 86079022) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-(dimethylhydrazinylidene)-1-phenylpropan-2-one
PubChem CID86079022
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(dimethylhydrazinylidene)-1-phenylpropan-2-one
SMILESCC(=O)C(=NN(C)C)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-9(14)11(12-13(2)3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyJOUHDYHFDIXXEL-UHFFFAOYSA-N
XLogP1.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one?
The IUPAC name of 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one (CID 86079022) is 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one.
What is the SMILES notation for 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one?
The canonical SMILES for 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one is CC(=O)C(=NN(C)C)c1ccccc1.
What is the InChIKey of 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one?
The InChIKey is JOUHDYHFDIXXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(14)11(12-13(2)3)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one?
1-(dimethylhydrazinylidene)-1-phenylpropan-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylhydrazinylidene)-1-phenylpropan-2-one is sourced from PubChem (CID 86079022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).