4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one

C9H10Br2N2OS — CID 102844665

IUPAC4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(N)C1c1cc(Br)c(Br)s1
InChIInChI=1S/C9H10Br2N2OS/c1-13-7(14)3-5(12)8(13)6-2-4(10)9(11)15-6/h2,5,8H,3,12H2,1H3
InChIKeyKLDCRQSFFLECGS-UHFFFAOYSA-N
MW354.07 g/mol
LogP2.50
Rot. Bonds1

About 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one

4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one (PubChem CID 102844665) has the molecular formula C9H10Br2N2OS and a molecular weight of 354.07 g/mol. Its IUPAC name is 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one
PubChem CID102844665
Molecular FormulaC9H10Br2N2OS
Molecular Weight354.07 g/mol
Exact Mass351.89
IUPAC Name4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(N)C1c1cc(Br)c(Br)s1
InChIInChI=1S/C9H10Br2N2OS/c1-13-7(14)3-5(12)8(13)6-2-4(10)9(11)15-6/h2,5,8H,3,12H2,1H3
InChIKeyKLDCRQSFFLECGS-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.07
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one (CID 102844665) is 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one is CN1C(=O)CC(N)C1c1cc(Br)c(Br)s1.
What is the InChIKey of 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one?
The InChIKey is KLDCRQSFFLECGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2OS/c1-13-7(14)3-5(12)8(13)6-2-4(10)9(11)15-6/h2,5,8H,3,12H2,1H3.
What are the key properties of 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one?
4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one has a molecular weight of 354.07 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4,5-dibromothiophen-2-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 102844665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).