ethyl (1Z)-N-ethoxycarbonylpentanimidate

C10H19NO3 — CID 19939400

IUPACethyl (1Z)-N-ethoxycarbonylpentanimidate
SMILESCCCC/C(=N/C(=O)OCC)OCC
InChIInChI=1S/C10H19NO3/c1-4-7-8-9(13-5-2)11-10(12)14-6-3/h4-8H2,1-3H3/b11-9-
InChIKeyIQMPQNAGKOWRFG-LUAWRHEFSA-N
MW201.27 g/mol
LogP2.77
Rot. Bonds5

About ethyl (1Z)-N-ethoxycarbonylpentanimidate

ethyl (1Z)-N-ethoxycarbonylpentanimidate (PubChem CID 19939400) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (1Z)-N-ethoxycarbonylpentanimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-ethoxycarbonylpentanimidate
PubChem CID19939400
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (1Z)-N-ethoxycarbonylpentanimidate
SMILESCCCC/C(=N/C(=O)OCC)OCC
InChIInChI=1S/C10H19NO3/c1-4-7-8-9(13-5-2)11-10(12)14-6-3/h4-8H2,1-3H3/b11-9-
InChIKeyIQMPQNAGKOWRFG-LUAWRHEFSA-N
XLogP2.77
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 54508421
ethyl (1E)-N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 10445064
ethyl (1Z)-N-ethoxycarbonyl-5,5,5-trifluoropentanimidate
CID 22829270
Ethyl N-(ethoxycarbonyl)-2-methylpropanimidate
CID 53746597
ethyl N-carbethoxyvalerimidate
CID 53930077
ethyl N-ethoxycarbonyl-4-methylpentanimidate
CID 54173158
ethyl N-(4-ethoxybutylidene)carbamate
CID 76540859
[1-Ethoxy-but-ylidene]-carbamic acid ethyl ester
CID 86637971
butyl N-ethoxycarbonylethanimidate
CID 88755185
ethyl (1Z)-N-ethoxycarbonyl-3-methylbutanimidate
CID 90425859
ethyl (1Z)-N-ethoxycarbonyl-2-methylpropanimidate
CID 90427348
ethyl N-ethoxycarbonyl-3-methoxy-propanimidate
CID 90427775

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-ethoxycarbonylpentanimidate?
The IUPAC name of ethyl (1Z)-N-ethoxycarbonylpentanimidate (CID 19939400) is ethyl (1Z)-N-ethoxycarbonylpentanimidate.
What is the SMILES notation for ethyl (1Z)-N-ethoxycarbonylpentanimidate?
The canonical SMILES for ethyl (1Z)-N-ethoxycarbonylpentanimidate is CCCC/C(=N/C(=O)OCC)OCC.
What is the InChIKey of ethyl (1Z)-N-ethoxycarbonylpentanimidate?
The InChIKey is IQMPQNAGKOWRFG-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-7-8-9(13-5-2)11-10(12)14-6-3/h4-8H2,1-3H3/b11-9-.
What are the key properties of ethyl (1Z)-N-ethoxycarbonylpentanimidate?
ethyl (1Z)-N-ethoxycarbonylpentanimidate has a molecular weight of 201.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-ethoxycarbonylpentanimidate is sourced from PubChem (CID 19939400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).