methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate

C8H16N2O2 — CID 134986772

IUPACmethyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate
SMILESCO/C(=N\N=C(/C)OC)C(C)C
InChIInChI=1S/C8H16N2O2/c1-6(2)8(12-5)10-9-7(3)11-4/h6H,1-5H3/b9-7+,10-8-
InChIKeyWHEMDPZGTSOHDV-ZWOQCJTASA-N
MW172.23 g/mol
LogP1.67
Rot. Bonds2

About methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate

methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate (PubChem CID 134986772) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate.

Molecular Properties

Compound Namemethyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate
PubChem CID134986772
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate
SMILESCO/C(=N\N=C(/C)OC)C(C)C
InChIInChI=1S/C8H16N2O2/c1-6(2)8(12-5)10-9-7(3)11-4/h6H,1-5H3/b9-7+,10-8-
InChIKeyWHEMDPZGTSOHDV-ZWOQCJTASA-N
XLogP1.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate?
The IUPAC name of methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate (CID 134986772) is methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate.
What is the SMILES notation for methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate?
The canonical SMILES for methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate is CO/C(=N\N=C(/C)OC)C(C)C.
What is the InChIKey of methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate?
The InChIKey is WHEMDPZGTSOHDV-ZWOQCJTASA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)8(12-5)10-9-7(3)11-4/h6H,1-5H3/b9-7+,10-8-.
What are the key properties of methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate?
methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate has a molecular weight of 172.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate is sourced from PubChem (CID 134986772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).