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

C14H20N2O2 — CID 896582

IUPAC(E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)/C=C/c2ccc(C)o2)CC1
InChIInChI=1S/C14H20N2O2/c1-3-15-8-10-16(11-9-15)14(17)7-6-13-5-4-12(2)18-13/h4-7H,3,8-11H2,1-2H3/b7-6+
InChIKeyJDDDFGSICKRJDW-VOTSOKGWSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds3

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

(E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (PubChem CID 896582) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
PubChem CID896582
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)/C=C/c2ccc(C)o2)CC1
InChIInChI=1S/C14H20N2O2/c1-3-15-8-10-16(11-9-15)14(17)7-6-13-5-4-12(2)18-13/h4-7H,3,8-11H2,1-2H3/b7-6+
InChIKeyJDDDFGSICKRJDW-VOTSOKGWSA-N
XLogP1.77
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
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 (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one (CID 896582) is (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is CCN1CCN(C(=O)/C=C/c2ccc(C)o2)CC1.
What is the InChIKey of (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
The InChIKey is JDDDFGSICKRJDW-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-15-8-10-16(11-9-15)14(17)7-6-13-5-4-12(2)18-13/h4-7H,3,8-11H2,1-2H3/b7-6+.
What are the key properties of (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one?
(E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethylpiperazin-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 896582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).