(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone

C14H21BrN2O3 — CID 96570139

IUPAC(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCOCCN(C)C[C@H]1CCCN1C(=O)c1occc1Br
InChIInChI=1S/C14H21BrN2O3/c1-16(7-9-19-2)10-11-4-3-6-17(11)14(18)13-12(15)5-8-20-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyTUCOJCXKPZFXAE-LLVKDONJSA-N
MW345.24 g/mol
LogP2.22
Rot. Bonds6

About (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone

(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 96570139) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID96570139
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCOCCN(C)C[C@H]1CCCN1C(=O)c1occc1Br
InChIInChI=1S/C14H21BrN2O3/c1-16(7-9-19-2)10-11-4-3-6-17(11)14(18)13-12(15)5-8-20-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyTUCOJCXKPZFXAE-LLVKDONJSA-N
XLogP2.22
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

3-[1-(3-bromofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 120536867
2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 51108813
(2-chlorofuran-3-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 106686764
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
[2-(chloromethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63395106
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 100898340
(2-bromo-5-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62888810
(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 67038222
5-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 59056466
benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564283
(2-amino-4-methoxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 115413192

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone (CID 96570139) is (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone is COCCN(C)C[C@H]1CCCN1C(=O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is TUCOJCXKPZFXAE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-16(7-9-19-2)10-11-4-3-6-17(11)14(18)13-12(15)5-8-20-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone?
(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 345.24 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 96570139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).