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

C10H10INO — CID 130616512

IUPACaziridin-1-yl-(3-iodo-2-methylphenyl)methanone
SMILESCc1c(I)cccc1C(=O)N1CC1
InChIInChI=1S/C10H10INO/c1-7-8(3-2-4-9(7)11)10(13)12-5-6-12/h2-4H,5-6H2,1H3
InChIKeyJKDPOPJTSJDAOF-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.06
Rot. Bonds1

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

aziridin-1-yl-(3-iodo-2-methylphenyl)methanone (PubChem CID 130616512) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is aziridin-1-yl-(3-iodo-2-methylphenyl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl-(3-iodo-2-methylphenyl)methanone
PubChem CID130616512
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Nameaziridin-1-yl-(3-iodo-2-methylphenyl)methanone
SMILESCc1c(I)cccc1C(=O)N1CC1
InChIInChI=1S/C10H10INO/c1-7-8(3-2-4-9(7)11)10(13)12-5-6-12/h2-4H,5-6H2,1H3
InChIKeyJKDPOPJTSJDAOF-UHFFFAOYSA-N
XLogP2.06
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877
1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 16785939
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
(2-fluoro-3-iodophenyl)-pyrrolidin-1-ylmethanone
CID 164895955
aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(4,4-dimethylpiperidin-1-yl)-(2-iodo-3-methylphenyl)methanone
CID 103639314
(2S)-2-amino-1-[4-(2-iodobenzoyl)piperazin-1-yl]propan-1-one
CID 119299649
[2-(aminomethyl)pyrrolidin-1-yl]-(3-iodo-2-methylphenyl)methanone;hydrochloride
CID 119633627
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-(3-iodo-2-methylphenyl)methanone?
The IUPAC name of aziridin-1-yl-(3-iodo-2-methylphenyl)methanone (CID 130616512) is aziridin-1-yl-(3-iodo-2-methylphenyl)methanone.
What is the SMILES notation for aziridin-1-yl-(3-iodo-2-methylphenyl)methanone?
The canonical SMILES for aziridin-1-yl-(3-iodo-2-methylphenyl)methanone is Cc1c(I)cccc1C(=O)N1CC1.
What is the InChIKey of aziridin-1-yl-(3-iodo-2-methylphenyl)methanone?
The InChIKey is JKDPOPJTSJDAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c1-7-8(3-2-4-9(7)11)10(13)12-5-6-12/h2-4H,5-6H2,1H3.
What are the key properties of aziridin-1-yl-(3-iodo-2-methylphenyl)methanone?
aziridin-1-yl-(3-iodo-2-methylphenyl)methanone has a molecular weight of 287.10 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-(3-iodo-2-methylphenyl)methanone is sourced from PubChem (CID 130616512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).