ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate

C9H18N2O2 — CID 134986578

IUPACethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
SMILESCCO/C(CC)=N\N=C(/C)OCC
InChIInChI=1S/C9H18N2O2/c1-5-9(13-7-3)11-10-8(4)12-6-2/h5-7H2,1-4H3/b10-8+,11-9-
InChIKeyRYTZSIMCTVIQNC-GOOGBFEESA-N
MW186.25 g/mol
LogP2.20
Rot. Bonds4

About ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate

ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate (PubChem CID 134986578) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate.

Molecular Properties

Compound Nameethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
PubChem CID134986578
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
SMILESCCO/C(CC)=N\N=C(/C)OCC
InChIInChI=1S/C9H18N2O2/c1-5-9(13-7-3)11-10-8(4)12-6-2/h5-7H2,1-4H3/b10-8+,11-9-
InChIKeyRYTZSIMCTVIQNC-GOOGBFEESA-N
XLogP2.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.20
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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Related Compounds

ethyl (1Z)-N-propan-2-ylidenepropanehydrazonate
CID 12429972
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
methyl (NE,1Z)-N-(1-methoxyethylidene)propanehydrazonate
CID 134986336
ethyl (NE,1Z)-N-(1-ethoxyethylidene)-2-methylpropanehydrazonate
CID 134986372
methyl (NE,1Z)-N-(1-methoxyethylidene)-2-methylpropanehydrazonate
CID 134986772
ethyl (NZ,1E)-N-(1-ethoxy-2-methylpropylidene)-2-methylpropanehydrazonate
CID 13199106
ethyl (NE,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 21856253
ethyl (NZ,1E)-N-(1-ethoxybutylidene)butanehydrazonate
CID 21856254
Methyl 3-(3-imino-3-methoxypropoxy)propanimidate
CID 23435000
ethyl (NZ,1E)-N-(1-ethoxypentylidene)pentanehydrazonate
CID 21856245
Ethyl N-(1-ethoxyethylidene)ethanehydrazonate
CID 71411772

Frequently Asked Questions

What is the IUPAC name of ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate?
The IUPAC name of ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate (CID 134986578) is ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate.
What is the SMILES notation for ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate?
The canonical SMILES for ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate is CCO/C(CC)=N\N=C(/C)OCC.
What is the InChIKey of ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate?
The InChIKey is RYTZSIMCTVIQNC-GOOGBFEESA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5-9(13-7-3)11-10-8(4)12-6-2/h5-7H2,1-4H3/b10-8+,11-9-.
What are the key properties of ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate?
ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate has a molecular weight of 186.25 g/mol, XLogP of 2.20, 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)propanehydrazonate is sourced from PubChem (CID 134986578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).