methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate

C9H18N2O2 — CID 89146636

IUPACmethyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate
SMILESCOC(=O)C(C)C/C(C)=N\N(C)C
InChIInChI=1S/C9H18N2O2/c1-7(9(12)13-5)6-8(2)10-11(3)4/h7H,6H2,1-5H3/b10-8-
InChIKeyZBAHIRYMZMHEOF-NTMALXAHSA-N
MW186.25 g/mol
LogP1.12
Rot. Bonds4

About methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate

methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate (PubChem CID 89146636) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate
PubChem CID89146636
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate
SMILESCOC(=O)C(C)C/C(C)=N\N(C)C
InChIInChI=1S/C9H18N2O2/c1-7(9(12)13-5)6-8(2)10-11(3)4/h7H,6H2,1-5H3/b10-8-
InChIKeyZBAHIRYMZMHEOF-NTMALXAHSA-N
XLogP1.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.12
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 methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate?
The IUPAC name of methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate (CID 89146636) is methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate.
What is the SMILES notation for methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate?
The canonical SMILES for methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate is COC(=O)C(C)C/C(C)=N\N(C)C.
What is the InChIKey of methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate?
The InChIKey is ZBAHIRYMZMHEOF-NTMALXAHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(9(12)13-5)6-8(2)10-11(3)4/h7H,6H2,1-5H3/b10-8-.
What are the key properties of methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate?
methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate has a molecular weight of 186.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-4-(dimethylhydrazinylidene)-2-methylpentanoate is sourced from PubChem (CID 89146636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).