(4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone

C10H12BrNO2S — CID 116560706

IUPAC(4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2cscc2Br)C1
InChIInChI=1S/C10H12BrNO2S/c1-14-6-2-9(12-3-6)10(13)7-4-15-5-8(7)11/h4-6,9,12H,2-3H2,1H3
InChIKeyMLWRHUDYUFHAOM-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.07
Rot. Bonds3

About (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone

(4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 116560706) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID116560706
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2cscc2Br)C1
InChIInChI=1S/C10H12BrNO2S/c1-14-6-2-9(12-3-6)10(13)7-4-15-5-8(7)11/h4-6,9,12H,2-3H2,1H3
InChIKeyMLWRHUDYUFHAOM-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone (CID 116560706) is (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)c2cscc2Br)C1.
What is the InChIKey of (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is MLWRHUDYUFHAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-14-6-2-9(12-3-6)10(13)7-4-15-5-8(7)11/h4-6,9,12H,2-3H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone?
(4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 290.18 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 116560706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).