ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate

C10H20N2O2 — CID 134986372

IUPACethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate
SMILESCCO/C(=N\N=C(/C)OCC)C(C)C
InChIInChI=1S/C10H20N2O2/c1-6-13-9(5)11-12-10(8(3)4)14-7-2/h8H,6-7H2,1-5H3/b11-9+,12-10-
InChIKeyGKTPQZQTJDTPNB-IXIPZQGVSA-N
MW200.28 g/mol
LogP2.45
Rot. Bonds4

About ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate

ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate (PubChem CID 134986372) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate.

Molecular Properties

Compound Nameethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate
PubChem CID134986372
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate
SMILESCCO/C(=N\N=C(/C)OCC)C(C)C
InChIInChI=1S/C10H20N2O2/c1-6-13-9(5)11-12-10(8(3)4)14-7-2/h8H,6-7H2,1-5H3/b11-9+,12-10-
InChIKeyGKTPQZQTJDTPNB-IXIPZQGVSA-N
XLogP2.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.45
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 ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate?
The IUPAC name of ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate (CID 134986372) is ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate.
What is the SMILES notation for ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate?
The canonical SMILES for ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate is CCO/C(=N\N=C(/C)OCC)C(C)C.
What is the InChIKey of ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate?
The InChIKey is GKTPQZQTJDTPNB-IXIPZQGVSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-13-9(5)11-12-10(8(3)4)14-7-2/h8H,6-7H2,1-5H3/b11-9+,12-10-.
What are the key properties of ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate?
ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate has a molecular weight of 200.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate is sourced from PubChem (CID 134986372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).