prop-2-enyl 2-oxo-2-piperidin-1-ylacetate

C10H15NO3 — CID 139567713

IUPACprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
SMILESC=CCOC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C10H15NO3/c1-2-8-14-10(13)9(12)11-6-4-3-5-7-11/h2H,1,3-8H2
InChIKeyDHHDORBOKSXKTH-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.73
Rot. Bonds2

About prop-2-enyl 2-oxo-2-piperidin-1-ylacetate

prop-2-enyl 2-oxo-2-piperidin-1-ylacetate (PubChem CID 139567713) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is prop-2-enyl 2-oxo-2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
PubChem CID139567713
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameprop-2-enyl 2-oxo-2-piperidin-1-ylacetate
SMILESC=CCOC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C10H15NO3/c1-2-8-14-10(13)9(12)11-6-4-3-5-7-11/h2H,1,3-8H2
InChIKeyDHHDORBOKSXKTH-UHFFFAOYSA-N
XLogP0.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The IUPAC name of prop-2-enyl 2-oxo-2-piperidin-1-ylacetate (CID 139567713) is prop-2-enyl 2-oxo-2-piperidin-1-ylacetate.
What is the SMILES notation for prop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The canonical SMILES for prop-2-enyl 2-oxo-2-piperidin-1-ylacetate is C=CCOC(=O)C(=O)N1CCCCC1.
What is the InChIKey of prop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
The InChIKey is DHHDORBOKSXKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-8-14-10(13)9(12)11-6-4-3-5-7-11/h2H,1,3-8H2.
What are the key properties of prop-2-enyl 2-oxo-2-piperidin-1-ylacetate?
prop-2-enyl 2-oxo-2-piperidin-1-ylacetate has a molecular weight of 197.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-oxo-2-piperidin-1-ylacetate is sourced from PubChem (CID 139567713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).