1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol

C11H16BrNOS — CID 130871464

IUPAC1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(Cc2sccc2Br)CC1O
InChIInChI=1S/C11H16BrNOS/c1-2-8-5-13(6-10(8)14)7-11-9(12)3-4-15-11/h3-4,8,10,14H,2,5-7H2,1H3
InChIKeyPISRXGVBEMGYRH-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.71
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol

1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol (PubChem CID 130871464) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol
PubChem CID130871464
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(Cc2sccc2Br)CC1O
InChIInChI=1S/C11H16BrNOS/c1-2-8-5-13(6-10(8)14)7-11-9(12)3-4-15-11/h3-4,8,10,14H,2,5-7H2,1H3
InChIKeyPISRXGVBEMGYRH-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol (CID 130871464) is 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol is CCC1CN(Cc2sccc2Br)CC1O.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol?
The InChIKey is PISRXGVBEMGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-2-8-5-13(6-10(8)14)7-11-9(12)3-4-15-11/h3-4,8,10,14H,2,5-7H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol?
1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol has a molecular weight of 290.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 130871464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).