1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one

C11H12Br2N2O — CID 168505649

IUPAC1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESNc1ccc(Br)cc1N1CC(CBr)CC1=O
InChIInChI=1S/C11H12Br2N2O/c12-5-7-3-11(16)15(6-7)10-4-8(13)1-2-9(10)14/h1-2,4,7H,3,5-6,14H2
InChIKeyUVMZUNKWRWZUFO-UHFFFAOYSA-N
MW348.04 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one

1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one (PubChem CID 168505649) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one
PubChem CID168505649
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESNc1ccc(Br)cc1N1CC(CBr)CC1=O
InChIInChI=1S/C11H12Br2N2O/c12-5-7-3-11(16)15(6-7)10-4-8(13)1-2-9(10)14/h1-2,4,7H,3,5-6,14H2
InChIKeyUVMZUNKWRWZUFO-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505646
1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505981
1-(2-amino-4-iodophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505712
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
1-(4-amino-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505396
1-(2-amino-4-chloro-5-methylphenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504385
1-(2-bromo-4-fluorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505696
1-(5-bromo-2-iodophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508723
1-(4-bromo-2,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505260
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480
4-(bromomethyl)-1-(2-bromo-3-methylphenyl)pyrrolidin-2-one
CID 168504687
1-(2-amino-3,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506024

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one (CID 168505649) is 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one is Nc1ccc(Br)cc1N1CC(CBr)CC1=O.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one?
The InChIKey is UVMZUNKWRWZUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c12-5-7-3-11(16)15(6-7)10-4-8(13)1-2-9(10)14/h1-2,4,7H,3,5-6,14H2.
What are the key properties of 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one?
1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one has a molecular weight of 348.04 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168505649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).