1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione

C10H10BrNO3 — CID 130747006

IUPAC1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione
SMILESO=C1CCN(Cc2coc(Br)c2)C(=O)C1
InChIInChI=1S/C10H10BrNO3/c11-9-3-7(6-15-9)5-12-2-1-8(13)4-10(12)14/h3,6H,1-2,4-5H2
InChIKeyLOORHXYILWIDAU-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.73
Rot. Bonds2

About 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione

1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione (PubChem CID 130747006) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione
PubChem CID130747006
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione
SMILESO=C1CCN(Cc2coc(Br)c2)C(=O)C1
InChIInChI=1S/C10H10BrNO3/c11-9-3-7(6-15-9)5-12-2-1-8(13)4-10(12)14/h3,6H,1-2,4-5H2
InChIKeyLOORHXYILWIDAU-UHFFFAOYSA-N
XLogP1.73
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethylphenyl)methyl]piperidine-2,4-dione
CID 106899915
1-[(3,4-difluorophenyl)methyl]piperidine-2,4-dione
CID 79515942
1-[(3-iodophenyl)methyl]piperidine-2,4-dione
CID 71056983
1-[(5-bromofuran-3-yl)methyl]pyrrolidine
CID 105487442
1-[(5-bromofuran-3-yl)methyl]-3,4-dimethylpyrrolidin-2-one
CID 130854790
1-[(3-chloro-4-fluorophenyl)methyl]piperidine-2,4-dione
CID 79516488
1-[(2-methylphenyl)methyl]piperidine-2,4-dione
CID 79515595
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-2,4-dione
CID 106373100
1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 130825988
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131019769
1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
CID 79516449
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2,4-dione
CID 79517938

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione (CID 130747006) is 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione is O=C1CCN(Cc2coc(Br)c2)C(=O)C1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione?
The InChIKey is LOORHXYILWIDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-9-3-7(6-15-9)5-12-2-1-8(13)4-10(12)14/h3,6H,1-2,4-5H2.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione?
1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione has a molecular weight of 272.10 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione is sourced from PubChem (CID 130747006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).