4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one

C15H19BrN2O2 — CID 168505583

IUPAC4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19BrN2O2/c16-10-12-9-15(19)18(11-12)14-3-1-13(2-4-14)17-5-7-20-8-6-17/h1-4,12H,5-11H2
InChIKeyXYIPLBFFEULDEG-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.27
Rot. Bonds3

About 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one

4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 168505583) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
PubChem CID168505583
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19BrN2O2/c16-10-12-9-15(19)18(11-12)14-3-1-13(2-4-14)17-5-7-20-8-6-17/h1-4,12H,5-11H2
InChIKeyXYIPLBFFEULDEG-UHFFFAOYSA-N
XLogP2.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168505625
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(bromomethyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 168504300
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
1-(3-methyl-4-morpholin-4-ylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670404
1-[4-(morpholin-4-ylmethyl)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672092
1-(4-anilinophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505585
4-(bromomethyl)-1-(4-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168505566
(5-chlorothiophen-2-yl) N-[[1-(4-morpholin-4-ylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 91293221
[1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674395
4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168509079
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one (CID 168505583) is 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is XYIPLBFFEULDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-10-12-9-15(19)18(11-12)14-3-1-13(2-4-14)17-5-7-20-8-6-17/h1-4,12H,5-11H2.
What are the key properties of 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 339.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168505583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).