ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate

C11H19NO2 — CID 145148389

IUPACethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate
SMILESCCOC(=O)/C=C1/CNCCC1CC
InChIInChI=1S/C11H19NO2/c1-3-9-5-6-12-8-10(9)7-11(13)14-4-2/h7,9,12H,3-6,8H2,1-2H3/b10-7-
InChIKeyCXRTVQSOABFNKP-YFHOEESVSA-N
MW197.28 g/mol
LogP1.50
Rot. Bonds3

About ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate

ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate (PubChem CID 145148389) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate
PubChem CID145148389
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate
SMILESCCOC(=O)/C=C1/CNCCC1CC
InChIInChI=1S/C11H19NO2/c1-3-9-5-6-12-8-10(9)7-11(13)14-4-2/h7,9,12H,3-6,8H2,1-2H3/b10-7-
InChIKeyCXRTVQSOABFNKP-YFHOEESVSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate (CID 145148389) is ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate is CCOC(=O)/C=C1/CNCCC1CC.
What is the InChIKey of ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate?
The InChIKey is CXRTVQSOABFNKP-YFHOEESVSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-9-5-6-12-8-10(9)7-11(13)14-4-2/h7,9,12H,3-6,8H2,1-2H3/b10-7-.
What are the key properties of ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate?
ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate has a molecular weight of 197.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate is sourced from PubChem (CID 145148389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).