3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one

C10H11IN2O — CID 130498345

IUPAC3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one
SMILESCc1ccc(N2CC(N)C2=O)cc1I
InChIInChI=1S/C10H11IN2O/c1-6-2-3-7(4-8(6)11)13-5-9(12)10(13)14/h2-4,9H,5,12H2,1H3
InChIKeyWHLDFILWBDKXCA-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.27
Rot. Bonds1

About 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one

3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one (PubChem CID 130498345) has the molecular formula C10H11IN2O and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one
PubChem CID130498345
Molecular FormulaC10H11IN2O
Molecular Weight302.12 g/mol
Exact Mass301.99
IUPAC Name3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one
SMILESCc1ccc(N2CC(N)C2=O)cc1I
InChIInChI=1S/C10H11IN2O/c1-6-2-3-7(4-8(6)11)13-5-9(12)10(13)14/h2-4,9H,5,12H2,1H3
InChIKeyWHLDFILWBDKXCA-UHFFFAOYSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
CID 124678513
1-(3-iodo-4-methylphenyl)piperidin-4-one
CID 130498128
3-amino-1-(2,5-difluoro-4-methylphenyl)azetidin-2-one
CID 103587951
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
CID 107371241
4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601
3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
CID 104725658
3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one
CID 130498049
1-(3-bromo-4-methylphenyl)-2-oxoazetidine-3-carboxylic acid
CID 82489526
6-(3-iodo-4-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 114257347
3-amino-1-(2,3,5,6-tetrafluorophenyl)azetidin-2-one
CID 107647388

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one (CID 130498345) is 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one is Cc1ccc(N2CC(N)C2=O)cc1I.
What is the InChIKey of 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one?
The InChIKey is WHLDFILWBDKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O/c1-6-2-3-7(4-8(6)11)13-5-9(12)10(13)14/h2-4,9H,5,12H2,1H3.
What are the key properties of 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one?
3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one has a molecular weight of 302.12 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 130498345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).