(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone

C10H12BrNO3 — CID 106854462

IUPAC(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C10H12BrNO3/c1-14-7-2-4-12(6-7)10(13)8-3-5-15-9(8)11/h3,5,7H,2,4,6H2,1H3
InChIKeySRGQOHWXXHSPHQ-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.90
Rot. Bonds2

About (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone

(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 106854462) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID106854462
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C10H12BrNO3/c1-14-7-2-4-12(6-7)10(13)8-3-5-15-9(8)11/h3,5,7H,2,4,6H2,1H3
InChIKeySRGQOHWXXHSPHQ-UHFFFAOYSA-N
XLogP1.90
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 106856247
(2-bromo-3-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 107982633
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
(3-bromo-2-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533814
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106855210
1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
CID 106852138
(2-bromofuran-3-yl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985269
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
1-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 106853497

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone (CID 106854462) is (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2ccoc2Br)C1.
What is the InChIKey of (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is SRGQOHWXXHSPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-14-7-2-4-12(6-7)10(13)8-3-5-15-9(8)11/h3,5,7H,2,4,6H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone?
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 274.11 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106854462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).