4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one

C14H18BrN3O2 — CID 168505625

IUPAC4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C14H18BrN3O2/c15-8-11-7-14(19)18(10-11)13-2-1-12(9-16-13)17-3-5-20-6-4-17/h1-2,9,11H,3-8,10H2
InChIKeyCNOSTXFLWJDJNW-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.67
Rot. Bonds3

About 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one

4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168505625) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
PubChem CID168505625
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C14H18BrN3O2/c15-8-11-7-14(19)18(10-11)13-2-1-12(9-16-13)17-3-5-20-6-4-17/h1-2,9,11H,3-8,10H2
InChIKeyCNOSTXFLWJDJNW-UHFFFAOYSA-N
XLogP1.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168505583
4-amino-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168700683
4-(bromomethyl)-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168504458
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
[1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672926
5-bromo-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168505824
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168509079
1-(3-methyl-4-morpholin-4-ylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670404
4-(bromomethyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 168504300
1-(2H-benzotriazol-5-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505547

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one (CID 168505625) is 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1ccc(N2CCOCC2)cn1.
What is the InChIKey of 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is CNOSTXFLWJDJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-8-11-7-14(19)18(10-11)13-2-1-12(9-16-13)17-3-5-20-6-4-17/h1-2,9,11H,3-8,10H2.
What are the key properties of 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 340.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168505625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).