ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate

C10H20N2O2 — CID 22170533

IUPACethyl (5E)-5-(dimethylhydrazinylidene)hexanoate
SMILESCCOC(=O)CCC/C(C)=N/N(C)C
InChIInChI=1S/C10H20N2O2/c1-5-14-10(13)8-6-7-9(2)11-12(3)4/h5-8H2,1-4H3/b11-9+
InChIKeyFOAAZJWBRGHOCQ-PKNBQFBNSA-N
MW200.28 g/mol
LogP1.66
Rot. Bonds6

About ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate

ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate (PubChem CID 22170533) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate.

Molecular Properties

Compound Nameethyl (5E)-5-(dimethylhydrazinylidene)hexanoate
PubChem CID22170533
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl (5E)-5-(dimethylhydrazinylidene)hexanoate
SMILESCCOC(=O)CCC/C(C)=N/N(C)C
InChIInChI=1S/C10H20N2O2/c1-5-14-10(13)8-6-7-9(2)11-12(3)4/h5-8H2,1-4H3/b11-9+
InChIKeyFOAAZJWBRGHOCQ-PKNBQFBNSA-N
XLogP1.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate?
The IUPAC name of ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate (CID 22170533) is ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate.
What is the SMILES notation for ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate?
The canonical SMILES for ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate is CCOC(=O)CCC/C(C)=N/N(C)C.
What is the InChIKey of ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate?
The InChIKey is FOAAZJWBRGHOCQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-14-10(13)8-6-7-9(2)11-12(3)4/h5-8H2,1-4H3/b11-9+.
What are the key properties of ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate?
ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate has a molecular weight of 200.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5E)-5-(dimethylhydrazinylidene)hexanoate is sourced from PubChem (CID 22170533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).