ethyl 2-piperidin-3-ylideneacetate

C9H15NO2 — CID 53410329

IUPACethyl 2-piperidin-3-ylideneacetate
SMILESCCOC(=O)C=C1CCCNC1
InChIInChI=1S/C9H15NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h6,10H,2-5,7H2,1H3
InChIKeyYTYRQDPJLVARKM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds2

About ethyl 2-piperidin-3-ylideneacetate

ethyl 2-piperidin-3-ylideneacetate (PubChem CID 53410329) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 2-piperidin-3-ylideneacetate.

Molecular Properties

Compound Nameethyl 2-piperidin-3-ylideneacetate
PubChem CID53410329
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 2-piperidin-3-ylideneacetate
SMILESCCOC(=O)C=C1CCCNC1
InChIInChI=1S/C9H15NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h6,10H,2-5,7H2,1H3
InChIKeyYTYRQDPJLVARKM-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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 2-piperidin-3-ylideneacetate?
The IUPAC name of ethyl 2-piperidin-3-ylideneacetate (CID 53410329) is ethyl 2-piperidin-3-ylideneacetate.
What is the SMILES notation for ethyl 2-piperidin-3-ylideneacetate?
The canonical SMILES for ethyl 2-piperidin-3-ylideneacetate is CCOC(=O)C=C1CCCNC1.
What is the InChIKey of ethyl 2-piperidin-3-ylideneacetate?
The InChIKey is YTYRQDPJLVARKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h6,10H,2-5,7H2,1H3.
What are the key properties of ethyl 2-piperidin-3-ylideneacetate?
ethyl 2-piperidin-3-ylideneacetate has a molecular weight of 169.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-3-ylideneacetate is sourced from PubChem (CID 53410329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).