4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one

C10H10Br2N2O — CID 168700989

IUPAC4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C10H10Br2N2O/c11-6-1-7(12)3-9(2-6)14-5-8(13)4-10(14)15/h1-3,8H,4-5,13H2
InChIKeyROMAIZZCRPDXOD-UHFFFAOYSA-N
MW334.01 g/mol
LogP2.28
Rot. Bonds1

About 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one

4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one (PubChem CID 168700989) has the molecular formula C10H10Br2N2O and a molecular weight of 334.01 g/mol. Its IUPAC name is 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
PubChem CID168700989
Molecular FormulaC10H10Br2N2O
Molecular Weight334.01 g/mol
Exact Mass331.92
IUPAC Name4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C10H10Br2N2O/c11-6-1-7(12)3-9(2-6)14-5-8(13)4-10(14)15/h1-3,8H,4-5,13H2
InChIKeyROMAIZZCRPDXOD-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.01
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one
CID 107579655
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
4-(aminomethyl)-1-(3-bromo-5-methoxyphenyl)pyrrolidin-2-one
CID 82860333
1-(3-bromo-5-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 107579664
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one (CID 168700989) is 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2cc(Br)cc(Br)c2)C1.
What is the InChIKey of 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one?
The InChIKey is ROMAIZZCRPDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O/c11-6-1-7(12)3-9(2-6)14-5-8(13)4-10(14)15/h1-3,8H,4-5,13H2.
What are the key properties of 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one?
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one has a molecular weight of 334.01 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168700989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).