methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate

C7H14N2O2 — CID 134986336

IUPACmethyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate
SMILESCC/C(=N/N=C(\C)OC)OC
InChIInChI=1S/C7H14N2O2/c1-5-7(11-4)9-8-6(2)10-3/h5H2,1-4H3/b8-6+,9-7-
InChIKeyFMYLZPNMHARUDW-FFELTBSMSA-N
MW158.20 g/mol
LogP1.42
Rot. Bonds2

About methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate

methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate (PubChem CID 134986336) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate.

Molecular Properties

Compound Namemethyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate
PubChem CID134986336
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate
SMILESCC/C(=N/N=C(\C)OC)OC
InChIInChI=1S/C7H14N2O2/c1-5-7(11-4)9-8-6(2)10-3/h5H2,1-4H3/b8-6+,9-7-
InChIKeyFMYLZPNMHARUDW-FFELTBSMSA-N
XLogP1.42
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.42
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)propanehydrazonate?
The IUPAC name of methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate (CID 134986336) is methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate.
What is the SMILES notation for methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate?
The canonical SMILES for methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate is CC/C(=N/N=C(\C)OC)OC.
What is the InChIKey of methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate?
The InChIKey is FMYLZPNMHARUDW-FFELTBSMSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5-7(11-4)9-8-6(2)10-3/h5H2,1-4H3/b8-6+,9-7-.
What are the key properties of methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate?
methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate has a molecular weight of 158.20 g/mol, XLogP of 1.42, 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)propanehydrazonate is sourced from PubChem (CID 134986336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).