1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol

C11H16BrNO2 — CID 130825988

IUPAC1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(Cc2coc(Br)c2)CC1O
InChIInChI=1S/C11H16BrNO2/c1-2-9-5-13(6-10(9)14)4-8-3-11(12)15-7-8/h3,7,9-10,14H,2,4-6H2,1H3
InChIKeyZZYBIWZGZDCFGE-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.24
Rot. Bonds3

About 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol

1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol (PubChem CID 130825988) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
PubChem CID130825988
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(Cc2coc(Br)c2)CC1O
InChIInChI=1S/C11H16BrNO2/c1-2-9-5-13(6-10(9)14)4-8-3-11(12)15-7-8/h3,7,9-10,14H,2,4-6H2,1H3
InChIKeyZZYBIWZGZDCFGE-UHFFFAOYSA-N
XLogP2.24
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol (CID 130825988) is 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol is CCC1CN(Cc2coc(Br)c2)CC1O.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol?
The InChIKey is ZZYBIWZGZDCFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-2-9-5-13(6-10(9)14)4-8-3-11(12)15-7-8/h3,7,9-10,14H,2,4-6H2,1H3.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol?
1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol has a molecular weight of 274.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 130825988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).