1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one

C15H20BrNO — CID 11220599

IUPAC1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C15H20BrNO/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyRAHKQMUBMIJUFG-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one

1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 11220599) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one
PubChem CID11220599
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C15H20BrNO/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeyRAHKQMUBMIJUFG-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one (CID 11220599) is 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is RAHKQMUBMIJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one?
1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 310.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 11220599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).