ethyl 6-(2-oxoethylimino)hexanoate

C10H17NO3 — CID 91545650

IUPACethyl 6-(2-oxoethylimino)hexanoate
SMILESCCOC(=O)CCCC/C=N/CC=O
InChIInChI=1S/C10H17NO3/c1-2-14-10(13)6-4-3-5-7-11-8-9-12/h7,9H,2-6,8H2,1H3/b11-7+
InChIKeyVIOIWSGWUPDNKP-YRNVUSSQSA-N
MW199.25 g/mol
LogP1.38
Rot. Bonds8

About ethyl 6-(2-oxoethylimino)hexanoate

ethyl 6-(2-oxoethylimino)hexanoate (PubChem CID 91545650) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 6-(2-oxoethylimino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-oxoethylimino)hexanoate
PubChem CID91545650
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 6-(2-oxoethylimino)hexanoate
SMILESCCOC(=O)CCCC/C=N/CC=O
InChIInChI=1S/C10H17NO3/c1-2-14-10(13)6-4-3-5-7-11-8-9-12/h7,9H,2-6,8H2,1H3/b11-7+
InChIKeyVIOIWSGWUPDNKP-YRNVUSSQSA-N
XLogP1.38
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-oxoethylimino)hexanoate?
The IUPAC name of ethyl 6-(2-oxoethylimino)hexanoate (CID 91545650) is ethyl 6-(2-oxoethylimino)hexanoate.
What is the SMILES notation for ethyl 6-(2-oxoethylimino)hexanoate?
The canonical SMILES for ethyl 6-(2-oxoethylimino)hexanoate is CCOC(=O)CCCC/C=N/CC=O.
What is the InChIKey of ethyl 6-(2-oxoethylimino)hexanoate?
The InChIKey is VIOIWSGWUPDNKP-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-14-10(13)6-4-3-5-7-11-8-9-12/h7,9H,2-6,8H2,1H3/b11-7+.
What are the key properties of ethyl 6-(2-oxoethylimino)hexanoate?
ethyl 6-(2-oxoethylimino)hexanoate has a molecular weight of 199.25 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-oxoethylimino)hexanoate is sourced from PubChem (CID 91545650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).