(4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one

C8H16N2O — CID 15094188

IUPAC(4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one
SMILESCC(=O)C(C)/C(C)=N/N(C)C
InChIInChI=1S/C8H16N2O/c1-6(8(3)11)7(2)9-10(4)5/h6H,1-5H3/b9-7+
InChIKeyGAJAXHOPFYNJBN-VQHVLOKHSA-N
MW156.23 g/mol
LogP1.15
Rot. Bonds3

About (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one

(4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one (PubChem CID 15094188) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one.

Molecular Properties

Compound Name(4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one
PubChem CID15094188
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one
SMILESCC(=O)C(C)/C(C)=N/N(C)C
InChIInChI=1S/C8H16N2O/c1-6(8(3)11)7(2)9-10(4)5/h6H,1-5H3/b9-7+
InChIKeyGAJAXHOPFYNJBN-VQHVLOKHSA-N
XLogP1.15
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one?
The IUPAC name of (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one (CID 15094188) is (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one.
What is the SMILES notation for (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one?
The canonical SMILES for (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one is CC(=O)C(C)/C(C)=N/N(C)C.
What is the InChIKey of (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one?
The InChIKey is GAJAXHOPFYNJBN-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(8(3)11)7(2)9-10(4)5/h6H,1-5H3/b9-7+.
What are the key properties of (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one?
(4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one is sourced from PubChem (CID 15094188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).