3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione

C15H14BrNO3 — CID 174277389

IUPAC3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione
SMILESO=C1CCC(CC2Cc3cc(Br)ccc3C2=O)C(=O)N1
InChIInChI=1S/C15H14BrNO3/c16-11-2-3-12-9(7-11)6-10(14(12)19)5-8-1-4-13(18)17-15(8)20/h2-3,7-8,10H,1,4-6H2,(H,17,18,20)
InChIKeyOOKSJXRQXPVTPC-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.25
Rot. Bonds2

About 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione

3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione (PubChem CID 174277389) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione
PubChem CID174277389
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione
SMILESO=C1CCC(CC2Cc3cc(Br)ccc3C2=O)C(=O)N1
InChIInChI=1S/C15H14BrNO3/c16-11-2-3-12-9(7-11)6-10(14(12)19)5-8-1-4-13(18)17-15(8)20/h2-3,7-8,10H,1,4-6H2,(H,17,18,20)
InChIKeyOOKSJXRQXPVTPC-UHFFFAOYSA-N
XLogP2.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione (CID 174277389) is 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione is O=C1CCC(CC2Cc3cc(Br)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione?
The InChIKey is OOKSJXRQXPVTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-11-2-3-12-9(7-11)6-10(14(12)19)5-8-1-4-13(18)17-15(8)20/h2-3,7-8,10H,1,4-6H2,(H,17,18,20).
What are the key properties of 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione?
3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione has a molecular weight of 336.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-3-oxo-1,2-dihydroinden-2-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 174277389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).