1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one

C14H18BrNO2 — CID 103538762

IUPAC1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one
SMILESCOC1CCN(CCC(=O)c2ccccc2Br)C1
InChIInChI=1S/C14H18BrNO2/c1-18-11-6-8-16(10-11)9-7-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3
InChIKeyUXYRYJRHCLLYNM-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one

1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one (PubChem CID 103538762) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one
PubChem CID103538762
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one
SMILESCOC1CCN(CCC(=O)c2ccccc2Br)C1
InChIInChI=1S/C14H18BrNO2/c1-18-11-6-8-16(10-11)9-7-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3
InChIKeyUXYRYJRHCLLYNM-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
CID 130427918
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
(3-bromo-2-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533814
3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 102966821
1-(2-bromophenyl)-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114780216
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62941183
1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133026
1-(2-chlorophenyl)-3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63169034
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one (CID 103538762) is 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one is COC1CCN(CCC(=O)c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one?
The InChIKey is UXYRYJRHCLLYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-18-11-6-8-16(10-11)9-7-14(17)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one?
1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one has a molecular weight of 312.21 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-methoxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 103538762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).