ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate

C13H21NO2 — CID 89206049

IUPACethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate
SMILESC=C(C)CC(C(=O)OCC)=C1CCNCC1
InChIInChI=1S/C13H21NO2/c1-4-16-13(15)12(9-10(2)3)11-5-7-14-8-6-11/h14H,2,4-9H2,1,3H3
InChIKeyPLXHWNMNXHDVOE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.20
Rot. Bonds4

About ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate

ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate (PubChem CID 89206049) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate
PubChem CID89206049
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate
SMILESC=C(C)CC(C(=O)OCC)=C1CCNCC1
InChIInChI=1S/C13H21NO2/c1-4-16-13(15)12(9-10(2)3)11-5-7-14-8-6-11/h14H,2,4-9H2,1,3H3
InChIKeyPLXHWNMNXHDVOE-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate?
The IUPAC name of ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate (CID 89206049) is ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate.
What is the SMILES notation for ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate?
The canonical SMILES for ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate is C=C(C)CC(C(=O)OCC)=C1CCNCC1.
What is the InChIKey of ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate?
The InChIKey is PLXHWNMNXHDVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-13(15)12(9-10(2)3)11-5-7-14-8-6-11/h14H,2,4-9H2,1,3H3.
What are the key properties of ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate?
ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate has a molecular weight of 223.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-piperidin-4-ylidenepent-4-enoate is sourced from PubChem (CID 89206049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).