1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

C13H20BrNO2 — CID 79069635

IUPAC1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1occc1Br)N1CCCC1
InChIInChI=1S/C13H20BrNO2/c1-3-13(2,15-7-4-5-8-15)12(16)11-10(14)6-9-17-11/h6,9,12,16H,3-5,7-8H2,1-2H3
InChIKeyWDCBSPNKGKXDQU-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79069635) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79069635
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1occc1Br)N1CCCC1
InChIInChI=1S/C13H20BrNO2/c1-3-13(2,15-7-4-5-8-15)12(16)11-10(14)6-9-17-11/h6,9,12,16H,3-5,7-8H2,1-2H3
InChIKeyWDCBSPNKGKXDQU-UHFFFAOYSA-N
XLogP3.34
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79595416
1-(3-bromofuran-2-yl)-2-ethylbutane-1,2-diol
CID 103449389
1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752637
2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 106889659
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
[1-(3-bromofuran-2-yl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 105239993
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
1-(3,4-dichlorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79064831
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 114644453
1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069489

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (CID 79069635) is 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is CCC(C)(C(O)c1occc1Br)N1CCCC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is WDCBSPNKGKXDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-3-13(2,15-7-4-5-8-15)12(16)11-10(14)6-9-17-11/h6,9,12,16H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
1-(3-bromofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 302.21 g/mol, XLogP of 3.34, 4 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)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79069635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).