ethyl 2-(1-methylpiperidin-4-ylidene)propanoate

C11H19NO2 — CID 10442694

IUPACethyl 2-(1-methylpiperidin-4-ylidene)propanoate
SMILESCCOC(=O)C(C)=C1CCN(C)CC1
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)9(2)10-5-7-12(3)8-6-10/h4-8H2,1-3H3
InChIKeyYQEJYQSJARAXCG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds2

About ethyl 2-(1-methylpiperidin-4-ylidene)propanoate

ethyl 2-(1-methylpiperidin-4-ylidene)propanoate (PubChem CID 10442694) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 2-(1-methylpiperidin-4-ylidene)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-methylpiperidin-4-ylidene)propanoate
PubChem CID10442694
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 2-(1-methylpiperidin-4-ylidene)propanoate
SMILESCCOC(=O)C(C)=C1CCN(C)CC1
InChIInChI=1S/C11H19NO2/c1-4-14-11(13)9(2)10-5-7-12(3)8-6-10/h4-8H2,1-3H3
InChIKeyYQEJYQSJARAXCG-UHFFFAOYSA-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 2-(1-methylpiperidin-4-ylidene)propanoate?
The IUPAC name of ethyl 2-(1-methylpiperidin-4-ylidene)propanoate (CID 10442694) is ethyl 2-(1-methylpiperidin-4-ylidene)propanoate.
What is the SMILES notation for ethyl 2-(1-methylpiperidin-4-ylidene)propanoate?
The canonical SMILES for ethyl 2-(1-methylpiperidin-4-ylidene)propanoate is CCOC(=O)C(C)=C1CCN(C)CC1.
What is the InChIKey of ethyl 2-(1-methylpiperidin-4-ylidene)propanoate?
The InChIKey is YQEJYQSJARAXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-14-11(13)9(2)10-5-7-12(3)8-6-10/h4-8H2,1-3H3.
What are the key properties of ethyl 2-(1-methylpiperidin-4-ylidene)propanoate?
ethyl 2-(1-methylpiperidin-4-ylidene)propanoate 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 2-(1-methylpiperidin-4-ylidene)propanoate is sourced from PubChem (CID 10442694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).