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

C10H17NO2 — CID 86615853

IUPACethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCNCC1C
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)6-9-4-5-11-7-8(9)2/h6,8,11H,3-5,7H2,1-2H3/b9-6+
InChIKeyDADYKCJIZMYXQD-RMKNXTFCSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds2

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

ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate (PubChem CID 86615853) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate
PubChem CID86615853
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCNCC1C
InChIInChI=1S/C10H17NO2/c1-3-13-10(12)6-9-4-5-11-7-8(9)2/h6,8,11H,3-5,7H2,1-2H3/b9-6+
InChIKeyDADYKCJIZMYXQD-RMKNXTFCSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
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-(3-methylpiperidin-4-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate (CID 86615853) is ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate is CCOC(=O)/C=C1\CCNCC1C.
What is the InChIKey of ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate?
The InChIKey is DADYKCJIZMYXQD-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-13-10(12)6-9-4-5-11-7-8(9)2/h6,8,11H,3-5,7H2,1-2H3/b9-6+.
What are the key properties of ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate?
ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate has a molecular weight of 183.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-methylpiperidin-4-ylidene)acetate is sourced from PubChem (CID 86615853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).