(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone

C10H12BrNO3 — CID 131196683

IUPAC(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Br)CC1O
InChIInChI=1S/C10H12BrNO3/c1-6-4-12(5-8(6)13)10(14)7-2-3-15-9(7)11/h2-3,6,8,13H,4-5H2,1H3
InChIKeySZPXCBQPBGXKHB-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.49
Rot. Bonds1

About (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone

(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone (PubChem CID 131196683) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
PubChem CID131196683
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Br)CC1O
InChIInChI=1S/C10H12BrNO3/c1-6-4-12(5-8(6)13)10(14)7-2-3-15-9(7)11/h2-3,6,8,13H,4-5H2,1H3
InChIKeySZPXCBQPBGXKHB-UHFFFAOYSA-N
XLogP1.49
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047
(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 106856247
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 106852628
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone (CID 131196683) is (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone is CC1CN(C(=O)c2ccoc2Br)CC1O.
What is the InChIKey of (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone?
The InChIKey is SZPXCBQPBGXKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-6-4-12(5-8(6)13)10(14)7-2-3-15-9(7)11/h2-3,6,8,13H,4-5H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone?
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone has a molecular weight of 274.11 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 131196683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).