1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine

C13H19BrN2O — CID 106885940

IUPAC1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESBrc1ccoc1CN1CCCC1C1CCCN1
InChIInChI=1S/C13H19BrN2O/c14-10-5-8-17-13(10)9-16-7-2-4-12(16)11-3-1-6-15-11/h5,8,11-12,15H,1-4,6-7,9H2
InChIKeySHLIMDFHIFFIPU-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.76
Rot. Bonds3

About 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine

1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 106885940) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID106885940
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESBrc1ccoc1CN1CCCC1C1CCCN1
InChIInChI=1S/C13H19BrN2O/c14-10-5-8-17-13(10)9-16-7-2-4-12(16)11-3-1-6-15-11/h5,8,11-12,15H,1-4,6-7,9H2
InChIKeySHLIMDFHIFFIPU-UHFFFAOYSA-N
XLogP2.76
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273179
1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 66157263
2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine
CID 106885961
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 102841616
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
4-(furan-2-ylmethyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571327
2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
CID 104869393
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 55054099
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine (CID 106885940) is 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine is Brc1ccoc1CN1CCCC1C1CCCN1.
What is the InChIKey of 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is SHLIMDFHIFFIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-10-5-8-17-13(10)9-16-7-2-4-12(16)11-3-1-6-15-11/h5,8,11-12,15H,1-4,6-7,9H2.
What are the key properties of 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 299.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 106885940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).