1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione

C11H16BrNO2 — CID 139913191

IUPAC1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C/C=C/CBr)C(=O)C1
InChIInChI=1S/C11H16BrNO2/c1-11(2)7-9(14)13(10(15)8-11)6-4-3-5-12/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyVJAAAMKCEVNBRU-ONEGZZNKSA-N
MW274.16 g/mol
LogP2.11
Rot. Bonds3

About 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione

1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 139913191) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID139913191
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C/C=C/CBr)C(=O)C1
InChIInChI=1S/C11H16BrNO2/c1-11(2)7-9(14)13(10(15)8-11)6-4-3-5-12/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyVJAAAMKCEVNBRU-ONEGZZNKSA-N
XLogP2.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione (CID 139913191) is 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(C/C=C/CBr)C(=O)C1.
What is the InChIKey of 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is VJAAAMKCEVNBRU-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-11(2)7-9(14)13(10(15)8-11)6-4-3-5-12/h3-4H,5-8H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 274.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-bromobut-2-enyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 139913191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).