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

C10H11BrN2O — CID 43521015

IUPAC4-amino-1-(3-bromophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C10H11BrN2O/c11-7-2-1-3-9(4-7)13-6-8(12)5-10(13)14/h1-4,8H,5-6,12H2
InChIKeyANGPJBLKJFVOOX-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.51
Rot. Bonds1

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

4-amino-1-(3-bromophenyl)pyrrolidin-2-one (PubChem CID 43521015) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 4-amino-1-(3-bromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-bromophenyl)pyrrolidin-2-one
PubChem CID43521015
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name4-amino-1-(3-bromophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C10H11BrN2O/c11-7-2-1-3-9(4-7)13-6-8(12)5-10(13)14/h1-4,8H,5-6,12H2
InChIKeyANGPJBLKJFVOOX-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
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(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009745
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 168699354
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
1-(3-bromophenyl)azetidin-3-amine
CID 117002846
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-bromophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3-bromophenyl)pyrrolidin-2-one (CID 43521015) is 4-amino-1-(3-bromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3-bromophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3-bromophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 4-amino-1-(3-bromophenyl)pyrrolidin-2-one?
The InChIKey is ANGPJBLKJFVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-7-2-1-3-9(4-7)13-6-8(12)5-10(13)14/h1-4,8H,5-6,12H2.
What are the key properties of 4-amino-1-(3-bromophenyl)pyrrolidin-2-one?
4-amino-1-(3-bromophenyl)pyrrolidin-2-one has a molecular weight of 255.12 g/mol, XLogP of 1.51, 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-bromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 43521015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).