2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine

C12H18BrNS — CID 66468528

IUPAC2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
SMILESCCCC1(Cc2ccc(Br)s2)CCCN1
InChIInChI=1S/C12H18BrNS/c1-2-6-12(7-3-8-14-12)9-10-4-5-11(13)15-10/h4-5,14H,2-3,6-9H2,1H3
InChIKeyOJEXQJBCQYRWAG-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.98
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine

2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine (PubChem CID 66468528) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
PubChem CID66468528
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
SMILESCCCC1(Cc2ccc(Br)s2)CCCN1
InChIInChI=1S/C12H18BrNS/c1-2-6-12(7-3-8-14-12)9-10-4-5-11(13)15-10/h4-5,14H,2-3,6-9H2,1H3
InChIKeyOJEXQJBCQYRWAG-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine (CID 66468528) is 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine is CCCC1(Cc2ccc(Br)s2)CCCN1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine?
The InChIKey is OJEXQJBCQYRWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-6-12(7-3-8-14-12)9-10-4-5-11(13)15-10/h4-5,14H,2-3,6-9H2,1H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine?
2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine has a molecular weight of 288.25 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine is sourced from PubChem (CID 66468528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).