1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol

C10H14BrNO3 — CID 130608348

IUPAC1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2coc(Br)c2)C1
InChIInChI=1S/C10H14BrNO3/c11-9-3-8(5-15-9)4-12-2-1-10(14,6-12)7-13/h3,5,13-14H,1-2,4,6-7H2
InChIKeyJDKCWQJQEQUTDB-UHFFFAOYSA-N
MW276.13 g/mol
LogP0.97
Rot. Bonds3

About 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol

1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 130608348) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID130608348
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2coc(Br)c2)C1
InChIInChI=1S/C10H14BrNO3/c11-9-3-8(5-15-9)4-12-2-1-10(14,6-12)7-13/h3,5,13-14H,1-2,4,6-7H2
InChIKeyJDKCWQJQEQUTDB-UHFFFAOYSA-N
XLogP0.97
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromofuran-3-yl)methyl]pyrrolidine
CID 105487442
1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 130624025
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 77089256
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130700479
3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
CID 77092954
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922
3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 77082470
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
CID 130679869
4-(hydroxymethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56908922
4-[[(1-benzyl-3-hydroxypyrrolidin-3-yl)methylamino]methyl]benzoic acid
CID 122031602

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol (CID 130608348) is 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol is OCC1(O)CCN(Cc2coc(Br)c2)C1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is JDKCWQJQEQUTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c11-9-3-8(5-15-9)4-12-2-1-10(14,6-12)7-13/h3,5,13-14H,1-2,4,6-7H2.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol?
1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 276.13 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 130608348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).