4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one

C11H12N2O3 — CID 75354993

IUPAC4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one
SMILESO=C1CN(C(=O)C=Cc2ccco2)CCN1
InChIInChI=1S/C11H12N2O3/c14-10-8-13(6-5-12-10)11(15)4-3-9-2-1-7-16-9/h1-4,7H,5-6,8H2,(H,12,14)
InChIKeyYEUOWAFHFQWRQU-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.25
Rot. Bonds2

About 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one

4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one (PubChem CID 75354993) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one
PubChem CID75354993
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one
SMILESO=C1CN(C(=O)C=Cc2ccco2)CCN1
InChIInChI=1S/C11H12N2O3/c14-10-8-13(6-5-12-10)11(15)4-3-9-2-1-7-16-9/h1-4,7H,5-6,8H2,(H,12,14)
InChIKeyYEUOWAFHFQWRQU-UHFFFAOYSA-N
XLogP0.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.25
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

(Z)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 2166410
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one
CID 74607633
2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 43521483
4-but-2-enoylpiperazin-2-one
CID 76872122
3-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121017214
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 45497154
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276
(E)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 102849618
(E)-3-(furan-2-yl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 124892451
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperidin-1-yl)prop-2-en-1-one
CID 71805643

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one?
The IUPAC name of 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one (CID 75354993) is 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one?
The canonical SMILES for 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one is O=C1CN(C(=O)C=Cc2ccco2)CCN1.
What is the InChIKey of 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one?
The InChIKey is YEUOWAFHFQWRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10-8-13(6-5-12-10)11(15)4-3-9-2-1-7-16-9/h1-4,7H,5-6,8H2,(H,12,14).
What are the key properties of 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one?
4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one is sourced from PubChem (CID 75354993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).