(5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C9H10BrNO3 — CID 111561602

IUPAC(5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1coc(Br)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C9H10BrNO3/c10-8-3-6(5-14-8)9(13)11-2-1-7(12)4-11/h3,5,7,12H,1-2,4H2/t7-/m1/s1
InChIKeyGYBBABPPCDXRER-SSDOTTSWSA-N
MW260.09 g/mol
LogP1.25
Rot. Bonds1

About (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111561602) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111561602
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name(5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1coc(Br)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C9H10BrNO3/c10-8-3-6(5-14-8)9(13)11-2-1-7(12)4-11/h3,5,7,12H,1-2,4H2/t7-/m1/s1
InChIKeyGYBBABPPCDXRER-SSDOTTSWSA-N
XLogP1.25
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
CID 130949994
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
(4,5-dibromothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030031
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide
CID 119480250
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
(4-bromo-1-methylpyrrol-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916212

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111561602) is (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1coc(Br)c1)N1CC[C@@H](O)C1.
What is the InChIKey of (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is GYBBABPPCDXRER-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-8-3-6(5-14-8)9(13)11-2-1-7(12)4-11/h3,5,7,12H,1-2,4H2/t7-/m1/s1.
What are the key properties of (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 260.09 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111561602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).