ethyl (2E)-2-piperidin-2-ylideneacetate

C9H15NO2 — CID 11084298

IUPACethyl (2E)-2-piperidin-2-ylideneacetate
SMILESCCOC(=O)/C=C1\CCCCN1
InChIInChI=1S/C9H15NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h7,10H,2-6H2,1H3/b8-7+
InChIKeyVTIIQRXRYKVQEA-BQYQJAHWSA-N
MW169.22 g/mol
LogP1.21
Rot. Bonds2

About ethyl (2E)-2-piperidin-2-ylideneacetate

ethyl (2E)-2-piperidin-2-ylideneacetate (PubChem CID 11084298) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl (2E)-2-piperidin-2-ylideneacetate.

Molecular Properties

Compound Nameethyl (2E)-2-piperidin-2-ylideneacetate
PubChem CID11084298
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl (2E)-2-piperidin-2-ylideneacetate
SMILESCCOC(=O)/C=C1\CCCCN1
InChIInChI=1S/C9H15NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h7,10H,2-6H2,1H3/b8-7+
InChIKeyVTIIQRXRYKVQEA-BQYQJAHWSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.21
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-piperidin-2-ylideneacetate?
The IUPAC name of ethyl (2E)-2-piperidin-2-ylideneacetate (CID 11084298) is ethyl (2E)-2-piperidin-2-ylideneacetate.
What is the SMILES notation for ethyl (2E)-2-piperidin-2-ylideneacetate?
The canonical SMILES for ethyl (2E)-2-piperidin-2-ylideneacetate is CCOC(=O)/C=C1\CCCCN1.
What is the InChIKey of ethyl (2E)-2-piperidin-2-ylideneacetate?
The InChIKey is VTIIQRXRYKVQEA-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h7,10H,2-6H2,1H3/b8-7+.
What are the key properties of ethyl (2E)-2-piperidin-2-ylideneacetate?
ethyl (2E)-2-piperidin-2-ylideneacetate has a molecular weight of 169.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-piperidin-2-ylideneacetate is sourced from PubChem (CID 11084298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).