(E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one

C14H19NO2 — CID 923465

IUPAC(E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCC(C)CC2)o1
InChIInChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)14(16)6-5-13-4-3-12(2)17-13/h3-6,11H,7-10H2,1-2H3/b6-5+
InChIKeyPZPBYSDSJGXMLF-AATRIKPKSA-N
MW233.31 g/mol
LogP2.86
Rot. Bonds2

About (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one

(E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 923465) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
PubChem CID923465
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCC(C)CC2)o1
InChIInChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)14(16)6-5-13-4-3-12(2)17-13/h3-6,11H,7-10H2,1-2H3/b6-5+
InChIKeyPZPBYSDSJGXMLF-AATRIKPKSA-N
XLogP2.86
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one (CID 923465) is (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one is Cc1ccc(/C=C/C(=O)N2CCC(C)CC2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is PZPBYSDSJGXMLF-AATRIKPKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)14(16)6-5-13-4-3-12(2)17-13/h3-6,11H,7-10H2,1-2H3/b6-5+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one?
(E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 923465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).