methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate

C10H17NO2 — CID 122678332

IUPACmethyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate
SMILESC/C=C1\CNCCC1CC(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-8-7-11-5-4-9(8)6-10(12)13-2/h3,9,11H,4-7H2,1-2H3/b8-3+
InChIKeyNKDYDGHWNNTGPB-FPYGCLRLSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds2

About methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate

methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate (PubChem CID 122678332) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate
PubChem CID122678332
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate
SMILESC/C=C1\CNCCC1CC(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-8-7-11-5-4-9(8)6-10(12)13-2/h3,9,11H,4-7H2,1-2H3/b8-3+
InChIKeyNKDYDGHWNNTGPB-FPYGCLRLSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate?
The IUPAC name of methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate (CID 122678332) is methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate is C/C=C1\CNCCC1CC(=O)OC.
What is the InChIKey of methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate?
The InChIKey is NKDYDGHWNNTGPB-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8-7-11-5-4-9(8)6-10(12)13-2/h3,9,11H,4-7H2,1-2H3/b8-3+.
What are the key properties of methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate?
methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]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 methyl 2-[(3Z)-3-ethylidenepiperidin-4-yl]acetate is sourced from PubChem (CID 122678332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).