methyl 3-(dimethylhydrazinylidene)propanoate

C6H12N2O2 — CID 57358288

IUPACmethyl 3-(dimethylhydrazinylidene)propanoate
SMILESCOC(=O)CC=NN(C)C
InChIInChI=1S/C6H12N2O2/c1-8(2)7-5-4-6(9)10-3/h5H,4H2,1-3H3
InChIKeyZWUSTEJPALZEAK-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.10
Rot. Bonds3

About methyl 3-(dimethylhydrazinylidene)propanoate

methyl 3-(dimethylhydrazinylidene)propanoate (PubChem CID 57358288) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 3-(dimethylhydrazinylidene)propanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylhydrazinylidene)propanoate
PubChem CID57358288
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namemethyl 3-(dimethylhydrazinylidene)propanoate
SMILESCOC(=O)CC=NN(C)C
InChIInChI=1S/C6H12N2O2/c1-8(2)7-5-4-6(9)10-3/h5H,4H2,1-3H3
InChIKeyZWUSTEJPALZEAK-UHFFFAOYSA-N
XLogP0.10
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.10
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 3-(dimethylhydrazinylidene)propanoate?
The IUPAC name of methyl 3-(dimethylhydrazinylidene)propanoate (CID 57358288) is methyl 3-(dimethylhydrazinylidene)propanoate.
What is the SMILES notation for methyl 3-(dimethylhydrazinylidene)propanoate?
The canonical SMILES for methyl 3-(dimethylhydrazinylidene)propanoate is COC(=O)CC=NN(C)C.
What is the InChIKey of methyl 3-(dimethylhydrazinylidene)propanoate?
The InChIKey is ZWUSTEJPALZEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8(2)7-5-4-6(9)10-3/h5H,4H2,1-3H3.
What are the key properties of methyl 3-(dimethylhydrazinylidene)propanoate?
methyl 3-(dimethylhydrazinylidene)propanoate has a molecular weight of 144.17 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylhydrazinylidene)propanoate is sourced from PubChem (CID 57358288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).