methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate

C8H16N2O2 — CID 20789491

IUPACmethyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate
SMILESCOC(=O)/C(=N\N(C)C)C(C)C
InChIInChI=1S/C8H16N2O2/c1-6(2)7(8(11)12-5)9-10(3)4/h6H,1-5H3/b9-7-
InChIKeyMNTLIGQZNSDMSY-CLFYSBASSA-N
MW172.23 g/mol
LogP0.73
Rot. Bonds3

About methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate

methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate (PubChem CID 20789491) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate
PubChem CID20789491
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate
SMILESCOC(=O)/C(=N\N(C)C)C(C)C
InChIInChI=1S/C8H16N2O2/c1-6(2)7(8(11)12-5)9-10(3)4/h6H,1-5H3/b9-7-
InChIKeyMNTLIGQZNSDMSY-CLFYSBASSA-N
XLogP0.73
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.73
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 (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate?
The IUPAC name of methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate (CID 20789491) is methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate.
What is the SMILES notation for methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate?
The canonical SMILES for methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate is COC(=O)/C(=N\N(C)C)C(C)C.
What is the InChIKey of methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate?
The InChIKey is MNTLIGQZNSDMSY-CLFYSBASSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)7(8(11)12-5)9-10(3)4/h6H,1-5H3/b9-7-.
What are the key properties of methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate?
methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate has a molecular weight of 172.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(dimethylhydrazinylidene)-3-methylbutanoate is sourced from PubChem (CID 20789491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).