(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone

C10H12BrNOS — CID 116580442

IUPAC(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2sccc2Br)CCCN1
InChIInChI=1S/C10H12BrNOS/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3
InChIKeyPWCFESKOPYQPIA-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.84
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone

(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 116580442) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID116580442
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2sccc2Br)CCCN1
InChIInChI=1S/C10H12BrNOS/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3
InChIKeyPWCFESKOPYQPIA-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone (CID 116580442) is (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2sccc2Br)CCCN1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is PWCFESKOPYQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 274.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116580442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).