1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one

C16H23BrN2O — CID 60931846

IUPAC1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
SMILESCCC(NC(C)CN1CCCC1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-3-15(13-6-8-14(17)9-7-13)18-12(2)11-19-10-4-5-16(19)20/h6-9,12,15,18H,3-5,10-11H2,1-2H3
InChIKeyKWJGHGHIYQEKGE-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.50
Rot. Bonds6

About 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one

1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one (PubChem CID 60931846) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
PubChem CID60931846
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
SMILESCCC(NC(C)CN1CCCC1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-3-15(13-6-8-14(17)9-7-13)18-12(2)11-19-10-4-5-16(19)20/h6-9,12,15,18H,3-5,10-11H2,1-2H3
InChIKeyKWJGHGHIYQEKGE-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 81329590
1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 82963383
1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60936415
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897
N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 113457747
1-[2-[(3-methoxy-3-methylbutan-2-yl)amino]propyl]pyrrolidin-2-one
CID 114228203
4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 56789091
4-bromo-2-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 78988208
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60931344
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 103675388

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one (CID 60931846) is 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one is CCC(NC(C)CN1CCCC1=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one?
The InChIKey is KWJGHGHIYQEKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-15(13-6-8-14(17)9-7-13)18-12(2)11-19-10-4-5-16(19)20/h6-9,12,15,18H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one has a molecular weight of 339.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60931846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).