4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one

C10H9Br3N2O — CID 43521111

IUPAC4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C10H9Br3N2O/c11-5-1-7(12)10(8(13)2-5)15-4-6(14)3-9(15)16/h1-2,6H,3-4,14H2
InChIKeyMYFSKHCQWUPRMG-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.04
Rot. Bonds1

About 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one

4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one (PubChem CID 43521111) has the molecular formula C10H9Br3N2O and a molecular weight of 412.91 g/mol. Its IUPAC name is 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
PubChem CID43521111
Molecular FormulaC10H9Br3N2O
Molecular Weight412.91 g/mol
Exact Mass409.83
IUPAC Name4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C10H9Br3N2O/c11-5-1-7(12)10(8(13)2-5)15-4-6(14)3-9(15)16/h1-2,6H,3-4,14H2
InChIKeyMYFSKHCQWUPRMG-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.04
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
4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one
CID 168700362
4-amino-1-(4-bromo-2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168699881
4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168700438
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one
CID 168700541
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
1-(2,4-dibromo-6-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670231
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one (CID 43521111) is 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2c(Br)cc(Br)cc2Br)C1.
What is the InChIKey of 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one?
The InChIKey is MYFSKHCQWUPRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br3N2O/c11-5-1-7(12)10(8(13)2-5)15-4-6(14)3-9(15)16/h1-2,6H,3-4,14H2.
What are the key properties of 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one?
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one has a molecular weight of 412.91 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one is sourced from PubChem (CID 43521111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).