1-(3-amino-4-bromophenyl)azetidin-2-one

C9H9BrN2O — CID 107342133

IUPAC1-(3-amino-4-bromophenyl)azetidin-2-one
SMILESNc1cc(N2CCC2=O)ccc1Br
InChIInChI=1S/C9H9BrN2O/c10-7-2-1-6(5-8(7)11)12-4-3-9(12)13/h1-2,5H,3-4,11H2
InChIKeyPSNFMFYQQRFICT-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.77
Rot. Bonds1

About 1-(3-amino-4-bromophenyl)azetidin-2-one

1-(3-amino-4-bromophenyl)azetidin-2-one (PubChem CID 107342133) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 1-(3-amino-4-bromophenyl)azetidin-2-one.

Molecular Properties

Compound Name1-(3-amino-4-bromophenyl)azetidin-2-one
PubChem CID107342133
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name1-(3-amino-4-bromophenyl)azetidin-2-one
SMILESNc1cc(N2CCC2=O)ccc1Br
InChIInChI=1S/C9H9BrN2O/c10-7-2-1-6(5-8(7)11)12-4-3-9(12)13/h1-2,5H,3-4,11H2
InChIKeyPSNFMFYQQRFICT-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-bromophenyl)piperidin-2-one
CID 82864557
2-bromo-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 55257523
2-bromo-4-(2-oxopiperidin-1-yl)benzenecarbothioamide
CID 112736135
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
2-bromo-5-(1,2,4-triazol-4-yl)aniline
CID 79767788
4-(3-amino-4-bromophenyl)-1-(azetidin-3-ylmethyl)piperazin-2-one
CID 135198603
2-(3-amino-4-bromophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 79767536
2-(3-amino-4-bromophenyl)-5-methyl-1H-pyrazol-3-one
CID 82379581
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-(4-bromo-3-methylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944757
4-(4-aminophenyl)-1-methyl-1,4-diazepan-5-one
CID 83706631
1-(4-aminophenyl)piperidin-2-one
CID 11458178

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-bromophenyl)azetidin-2-one?
The IUPAC name of 1-(3-amino-4-bromophenyl)azetidin-2-one (CID 107342133) is 1-(3-amino-4-bromophenyl)azetidin-2-one.
What is the SMILES notation for 1-(3-amino-4-bromophenyl)azetidin-2-one?
The canonical SMILES for 1-(3-amino-4-bromophenyl)azetidin-2-one is Nc1cc(N2CCC2=O)ccc1Br.
What is the InChIKey of 1-(3-amino-4-bromophenyl)azetidin-2-one?
The InChIKey is PSNFMFYQQRFICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-2-1-6(5-8(7)11)12-4-3-9(12)13/h1-2,5H,3-4,11H2.
What are the key properties of 1-(3-amino-4-bromophenyl)azetidin-2-one?
1-(3-amino-4-bromophenyl)azetidin-2-one has a molecular weight of 241.09 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-bromophenyl)azetidin-2-one is sourced from PubChem (CID 107342133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).