3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one

C13H17NO2 — CID 923468

IUPAC3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
SMILESCc1ccc(C=CC(=O)N2CCCCC2)o1
InChIInChI=1S/C13H17NO2/c1-11-5-6-12(16-11)7-8-13(15)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKeyJVHPJNURPMYJOP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.61
Rot. Bonds2

About 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one

3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 923468) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
PubChem CID923468
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
SMILESCc1ccc(C=CC(=O)N2CCCCC2)o1
InChIInChI=1S/C13H17NO2/c1-11-5-6-12(16-11)7-8-13(15)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKeyJVHPJNURPMYJOP-UHFFFAOYSA-N
XLogP2.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one (CID 923468) is 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one is Cc1ccc(C=CC(=O)N2CCCCC2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is JVHPJNURPMYJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11-5-6-12(16-11)7-8-13(15)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 923468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).