ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate

C12H24N2O2 — CID 13199106

IUPACethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate
SMILESCCO/C(=N\N=C(\OCC)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-7-15-11(9(3)4)13-14-12(10(5)6)16-8-2/h9-10H,7-8H2,1-6H3/b13-11-,14-12+
InChIKeySXNKDHQVCQPFIU-HEEUSZRZSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds5

About ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate

ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate (PubChem CID 13199106) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate.

Molecular Properties

Compound Nameethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate
PubChem CID13199106
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate
SMILESCCO/C(=N\N=C(\OCC)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-7-15-11(9(3)4)13-14-12(10(5)6)16-8-2/h9-10H,7-8H2,1-6H3/b13-11-,14-12+
InChIKeySXNKDHQVCQPFIU-HEEUSZRZSA-N
XLogP3.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
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 (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate?
The IUPAC name of ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate (CID 13199106) is ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate.
What is the SMILES notation for ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate?
The canonical SMILES for ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate is CCO/C(=N\N=C(\OCC)C(C)C)C(C)C.
What is the InChIKey of ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate?
The InChIKey is SXNKDHQVCQPFIU-HEEUSZRZSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7-15-11(9(3)4)13-14-12(10(5)6)16-8-2/h9-10H,7-8H2,1-6H3/b13-11-,14-12+.
What are the key properties of ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate?
ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate has a molecular weight of 228.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate is sourced from PubChem (CID 13199106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).