1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one

C11H11BrN2O — CID 71329991

IUPAC1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one
SMILESCC1(Br)CN(N=Cc2ccccc2)C1=O
InChIInChI=1S/C11H11BrN2O/c1-11(12)8-14(10(11)15)13-7-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyYUIXLJORSNRXGR-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.02
Rot. Bonds2

About 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one

1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one (PubChem CID 71329991) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one.

Molecular Properties

Compound Name1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one
PubChem CID71329991
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one
SMILESCC1(Br)CN(N=Cc2ccccc2)C1=O
InChIInChI=1S/C11H11BrN2O/c1-11(12)8-14(10(11)15)13-7-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyYUIXLJORSNRXGR-UHFFFAOYSA-N
XLogP2.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-but-3-enyl-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 176910870
N-[(E)-benzylideneamino]-N-methylacetamide
CID 13527396
N-[(E)-benzylideneamino]-N-(2-cyanoethyl)acetamide
CID 11820590
Benzaldehyde acetyl(2-cyanoethyl)hydrazone
CID 57296025
N-[(E)-(4-bromophenyl)methylideneamino]-N-methylacetamide
CID 117732261
N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide
CID 176910868
N-(benzylideneamino)-N-but-3-enylacetamide
CID 176910872
N-(benzylideneamino)-N-methylacetamide
CID 5250793
1-(Benzhydrylideneamino)-3-bromo-3-methylazetidin-2-one
CID 13317080
4-Bromo-2-methyl-5-phenylpyridazin-3-one
CID 21860587
CID 178601176
CID 178601176

Frequently Asked Questions

What is the IUPAC name of 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one?
The IUPAC name of 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one (CID 71329991) is 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one.
What is the SMILES notation for 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one?
The canonical SMILES for 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one is CC1(Br)CN(N=Cc2ccccc2)C1=O.
What is the InChIKey of 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one?
The InChIKey is YUIXLJORSNRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-11(12)8-14(10(11)15)13-7-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one?
1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one has a molecular weight of 267.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-3-bromo-3-methylazetidin-2-one is sourced from PubChem (CID 71329991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).