6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one

C10H11BrN2O2 — CID 168506181

IUPAC6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
SMILESO=C1CC(CBr)CN1c1cccc(=O)[nH]1
InChIInChI=1S/C10H11BrN2O2/c11-5-7-4-10(15)13(6-7)8-2-1-3-9(14)12-8/h1-3,7H,4-6H2,(H,12,14)
InChIKeyBDMZSAJXKNFNTG-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.12
Rot. Bonds2

About 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one

6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one (PubChem CID 168506181) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
PubChem CID168506181
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
SMILESO=C1CC(CBr)CN1c1cccc(=O)[nH]1
InChIInChI=1S/C10H11BrN2O2/c11-5-7-4-10(15)13(6-7)8-2-1-3-9(14)12-8/h1-3,7H,4-6H2,(H,12,14)
InChIKeyBDMZSAJXKNFNTG-UHFFFAOYSA-N
XLogP1.12
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(bromomethyl)-1-(2,6-diethylphenyl)pyrrolidin-2-one
CID 168503911
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
4-(bromomethyl)-1-(2-bromo-3-methylphenyl)pyrrolidin-2-one
CID 168504687
4-(bromomethyl)-1-(4-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168505566
4-(bromomethyl)-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168503684
4-amino-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168506064
4-(bromomethyl)-1-(3-chloro-2-nitrophenyl)pyrrolidin-2-one
CID 168506155
4-(bromomethyl)-1-[3-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168506138
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 168504648
4-(bromomethyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 168504300

Frequently Asked Questions

What is the IUPAC name of 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one (CID 168506181) is 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one is O=C1CC(CBr)CN1c1cccc(=O)[nH]1.
What is the InChIKey of 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The InChIKey is BDMZSAJXKNFNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-5-7-4-10(15)13(6-7)8-2-1-3-9(14)12-8/h1-3,7H,4-6H2,(H,12,14).
What are the key properties of 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 168506181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).