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

C10H12BrNO2S — CID 116560564

IUPAC(3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2sccc2Br)C1
InChIInChI=1S/C10H12BrNO2S/c1-14-6-4-8(12-5-6)9(13)10-7(11)2-3-15-10/h2-3,6,8,12H,4-5H2,1H3
InChIKeyUHXKJWIOLJJWBJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.07
Rot. Bonds3

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

(3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 116560564) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID116560564
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2sccc2Br)C1
InChIInChI=1S/C10H12BrNO2S/c1-14-6-4-8(12-5-6)9(13)10-7(11)2-3-15-10/h2-3,6,8,12H,4-5H2,1H3
InChIKeyUHXKJWIOLJJWBJ-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 (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone (CID 116560564) is (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)c2sccc2Br)C1.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is UHXKJWIOLJJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-14-6-4-8(12-5-6)9(13)10-7(11)2-3-15-10/h2-3,6,8,12H,4-5H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone?
(3-bromothiophen-2-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 (3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 116560564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).