(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C15H17BrN2OS — CID 60955318

IUPAC(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCCC1c1cccs1
InChIInChI=1S/C15H17BrN2OS/c1-2-17-10-11(16)9-13(17)15(19)18-7-3-5-12(18)14-6-4-8-20-14/h4,6,8-10,12H,2-3,5,7H2,1H3
InChIKeySGTAEUKYGXVYSY-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.31
Rot. Bonds3

About (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 60955318) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID60955318
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCCC1c1cccs1
InChIInChI=1S/C15H17BrN2OS/c1-2-17-10-11(16)9-13(17)15(19)18-7-3-5-12(18)14-6-4-8-20-14/h4,6,8-10,12H,2-3,5,7H2,1H3
InChIKeySGTAEUKYGXVYSY-UHFFFAOYSA-N
XLogP4.31
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43641316
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 119631149
(5-bromo-2-iodophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103600262
(4-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43018663
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
(3-phenyl-1,2-oxazol-5-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51612891
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 66124659
3-bromo-N-[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]benzamide
CID 30035634

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 60955318) is (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is CCn1cc(Br)cc1C(=O)N1CCCC1c1cccs1.
What is the InChIKey of (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is SGTAEUKYGXVYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-2-17-10-11(16)9-13(17)15(19)18-7-3-5-12(18)14-6-4-8-20-14/h4,6,8-10,12H,2-3,5,7H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 353.29 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60955318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).