ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate

C11H19NO2 — CID 129213029

IUPACethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCN(C)C(C)C1
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)8-10-5-6-12(3)9(2)7-10/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyNARIDMNUFFWXSJ-CSKARUKUSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds2

About ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate

ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate (PubChem CID 129213029) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate
PubChem CID129213029
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCN(C)C(C)C1
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)8-10-5-6-12(3)9(2)7-10/h8-9H,4-7H2,1-3H3/b10-8+
InChIKeyNARIDMNUFFWXSJ-CSKARUKUSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
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-(1,2-dimethylpiperidin-4-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate (CID 129213029) is ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate is CCOC(=O)/C=C1\CCN(C)C(C)C1.
What is the InChIKey of ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate?
The InChIKey is NARIDMNUFFWXSJ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-14-11(13)8-10-5-6-12(3)9(2)7-10/h8-9H,4-7H2,1-3H3/b10-8+.
What are the key properties of ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate?
ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate has a molecular weight of 197.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(1,2-dimethylpiperidin-4-ylidene)acetate is sourced from PubChem (CID 129213029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).