(E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one

C12H16N2O2 — CID 70591548

IUPAC(E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one
SMILESC/C(=C\c1ccco1)C(=O)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c1-10(9-11-3-2-8-16-11)12(15)14-6-4-13-5-7-14/h2-3,8-9,13H,4-7H2,1H3/b10-9+
InChIKeyHARZZPBMLBDMMJ-MDZDMXLPSA-N
MW220.27 g/mol
LogP1.11
Rot. Bonds2

About (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one

(E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one (PubChem CID 70591548) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one
PubChem CID70591548
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one
SMILESC/C(=C\c1ccco1)C(=O)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c1-10(9-11-3-2-8-16-11)12(15)14-6-4-13-5-7-14/h2-3,8-9,13H,4-7H2,1H3/b10-9+
InChIKeyHARZZPBMLBDMMJ-MDZDMXLPSA-N
XLogP1.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylfuran;1-piperazin-1-ylethanone
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CID 892483
N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2921436
(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 5409301
N-[1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 820382
N-[(E)-1-(furan-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 7349133
1-[1-(furan-2-yl)ethenyl]piperazine
CID 89343941
(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid
CID 690378

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one (CID 70591548) is (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one is C/C(=C\c1ccco1)C(=O)N1CCNCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one?
The InChIKey is HARZZPBMLBDMMJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10(9-11-3-2-8-16-11)12(15)14-6-4-13-5-7-14/h2-3,8-9,13H,4-7H2,1H3/b10-9+.
What are the key properties of (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one?
(E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one has a molecular weight of 220.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-2-methyl-1-piperazin-1-ylprop-2-en-1-one is sourced from PubChem (CID 70591548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).