aziridin-1-yl-(2-bromo-3-methylphenyl)methanone

C10H10BrNO — CID 131089589

IUPACaziridin-1-yl-(2-bromo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC2)c1Br
InChIInChI=1S/C10H10BrNO/c1-7-3-2-4-8(9(7)11)10(13)12-5-6-12/h2-4H,5-6H2,1H3
InChIKeyBTIQIFUDLJJSQA-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.21
Rot. Bonds1

About aziridin-1-yl-(2-bromo-3-methylphenyl)methanone

aziridin-1-yl-(2-bromo-3-methylphenyl)methanone (PubChem CID 131089589) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is aziridin-1-yl-(2-bromo-3-methylphenyl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl-(2-bromo-3-methylphenyl)methanone
PubChem CID131089589
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Nameaziridin-1-yl-(2-bromo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC2)c1Br
InChIInChI=1S/C10H10BrNO/c1-7-3-2-4-8(9(7)11)10(13)12-5-6-12/h2-4H,5-6H2,1H3
InChIKeyBTIQIFUDLJJSQA-UHFFFAOYSA-N
XLogP2.21
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze aziridin-1-yl-(2-bromo-3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103853932
(2-bromo-3-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107982520
(2-bromo-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 113339336
(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130965206
(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812606
(2-bromo-3-methylphenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 107984073
4-(2-bromo-3-methylbenzoyl)piperazine-2,6-dione
CID 107982552
1-(2-bromo-3-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107982295
(2-bromo-3-methylphenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 103853554
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-(2-bromo-3-methylphenyl)methanone?
The IUPAC name of aziridin-1-yl-(2-bromo-3-methylphenyl)methanone (CID 131089589) is aziridin-1-yl-(2-bromo-3-methylphenyl)methanone.
What is the SMILES notation for aziridin-1-yl-(2-bromo-3-methylphenyl)methanone?
The canonical SMILES for aziridin-1-yl-(2-bromo-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CC2)c1Br.
What is the InChIKey of aziridin-1-yl-(2-bromo-3-methylphenyl)methanone?
The InChIKey is BTIQIFUDLJJSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7-3-2-4-8(9(7)11)10(13)12-5-6-12/h2-4H,5-6H2,1H3.
What are the key properties of aziridin-1-yl-(2-bromo-3-methylphenyl)methanone?
aziridin-1-yl-(2-bromo-3-methylphenyl)methanone has a molecular weight of 240.10 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-(2-bromo-3-methylphenyl)methanone is sourced from PubChem (CID 131089589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).