methyl (2Z)-2-piperidin-2-ylideneacetate

C8H13NO2 — CID 10931671

IUPACmethyl (2Z)-2-piperidin-2-ylideneacetate
SMILESCOC(=O)/C=C1/CCCCN1
InChIInChI=1S/C8H13NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h6,9H,2-5H2,1H3/b7-6-
InChIKeyMVQWICMCUQFVFB-SREVYHEPSA-N
MW155.20 g/mol
LogP0.82
Rot. Bonds1

About methyl (2Z)-2-piperidin-2-ylideneacetate

methyl (2Z)-2-piperidin-2-ylideneacetate (PubChem CID 10931671) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (2Z)-2-piperidin-2-ylideneacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-piperidin-2-ylideneacetate
PubChem CID10931671
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (2Z)-2-piperidin-2-ylideneacetate
SMILESCOC(=O)/C=C1/CCCCN1
InChIInChI=1S/C8H13NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h6,9H,2-5H2,1H3/b7-6-
InChIKeyMVQWICMCUQFVFB-SREVYHEPSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.82
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 methyl (2Z)-2-piperidin-2-ylideneacetate?
The IUPAC name of methyl (2Z)-2-piperidin-2-ylideneacetate (CID 10931671) is methyl (2Z)-2-piperidin-2-ylideneacetate.
What is the SMILES notation for methyl (2Z)-2-piperidin-2-ylideneacetate?
The canonical SMILES for methyl (2Z)-2-piperidin-2-ylideneacetate is COC(=O)/C=C1/CCCCN1.
What is the InChIKey of methyl (2Z)-2-piperidin-2-ylideneacetate?
The InChIKey is MVQWICMCUQFVFB-SREVYHEPSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h6,9H,2-5H2,1H3/b7-6-.
What are the key properties of methyl (2Z)-2-piperidin-2-ylideneacetate?
methyl (2Z)-2-piperidin-2-ylideneacetate has a molecular weight of 155.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-piperidin-2-ylideneacetate is sourced from PubChem (CID 10931671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).