1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one

C15H21NO2 — CID 171390683

IUPAC1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one
SMILESC=CCC(=O)CC(c1ccco1)N1CCCCC1
InChIInChI=1S/C15H21NO2/c1-2-7-13(17)12-14(15-8-6-11-18-15)16-9-4-3-5-10-16/h2,6,8,11,14H,1,3-5,7,9-10,12H2
InChIKeyNAZNYDOODXRVIM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.34
Rot. Bonds6

About 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one

1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one (PubChem CID 171390683) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one.

Molecular Properties

Compound Name1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one
PubChem CID171390683
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one
SMILESC=CCC(=O)CC(c1ccco1)N1CCCCC1
InChIInChI=1S/C15H21NO2/c1-2-7-13(17)12-14(15-8-6-11-18-15)16-9-4-3-5-10-16/h2,6,8,11,14H,1,3-5,7,9-10,12H2
InChIKeyNAZNYDOODXRVIM-UHFFFAOYSA-N
XLogP3.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
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 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one?
The IUPAC name of 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one (CID 171390683) is 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one.
What is the SMILES notation for 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one?
The canonical SMILES for 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one is C=CCC(=O)CC(c1ccco1)N1CCCCC1.
What is the InChIKey of 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one?
The InChIKey is NAZNYDOODXRVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-7-13(17)12-14(15-8-6-11-18-15)16-9-4-3-5-10-16/h2,6,8,11,14H,1,3-5,7,9-10,12H2.
What are the key properties of 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one?
1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one has a molecular weight of 247.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-piperidin-1-ylhex-5-en-3-one is sourced from PubChem (CID 171390683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).