1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione

C11H17BrN2O2 — CID 65007780

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CC2(CBr)CCC2)C(=O)C1=O
InChIInChI=1S/C11H17BrN2O2/c1-13-5-6-14(10(16)9(13)15)8-11(7-12)3-2-4-11/h2-8H2,1H3
InChIKeyCXBUDUDRAKBXRB-UHFFFAOYSA-N
MW289.17 g/mol
LogP0.85
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione

1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione (PubChem CID 65007780) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione
PubChem CID65007780
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CC2(CBr)CCC2)C(=O)C1=O
InChIInChI=1S/C11H17BrN2O2/c1-13-5-6-14(10(16)9(13)15)8-11(7-12)3-2-4-11/h2-8H2,1H3
InChIKeyCXBUDUDRAKBXRB-UHFFFAOYSA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione (CID 65007780) is 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione is CN1CCN(CC2(CBr)CCC2)C(=O)C1=O.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione?
The InChIKey is CXBUDUDRAKBXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-13-5-6-14(10(16)9(13)15)8-11(7-12)3-2-4-11/h2-8H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione?
1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione has a molecular weight of 289.17 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 65007780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).