1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C10H10BrNO3S — CID 3432603

IUPAC1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccsc1Br
InChIInChI=1S/C10H10BrNO3S/c11-9-6(3-4-16-9)5-12-7(10(14)15)1-2-8(12)13/h3-4,7H,1-2,5H2,(H,14,15)
InChIKeyLUTAUIUJHFZIPL-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.09
Rot. Bonds3

About 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 3432603) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID3432603
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Name1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccsc1Br
InChIInChI=1S/C10H10BrNO3S/c11-9-6(3-4-16-9)5-12-7(10(14)15)1-2-8(12)13/h3-4,7H,1-2,5H2,(H,14,15)
InChIKeyLUTAUIUJHFZIPL-UHFFFAOYSA-N
XLogP2.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 3432603) is 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1Cc1ccsc1Br.
What is the InChIKey of 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is LUTAUIUJHFZIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c11-9-6(3-4-16-9)5-12-7(10(14)15)1-2-8(12)13/h3-4,7H,1-2,5H2,(H,14,15).
What are the key properties of 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 304.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3432603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).