4-(bromomethyl)-1-phenylpyrrolidin-2-one

C11H12BrNO — CID 23591967

IUPAC4-(bromomethyl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccccc1
InChIInChI=1S/C11H12BrNO/c12-7-9-6-11(14)13(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyALBIXDDYRGRPFY-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.43
Rot. Bonds2

About 4-(bromomethyl)-1-phenylpyrrolidin-2-one

4-(bromomethyl)-1-phenylpyrrolidin-2-one (PubChem CID 23591967) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-(bromomethyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-phenylpyrrolidin-2-one
PubChem CID23591967
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name4-(bromomethyl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccccc1
InChIInChI=1S/C11H12BrNO/c12-7-9-6-11(14)13(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyALBIXDDYRGRPFY-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-anilinophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505585
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
4-(bromomethyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 168504300
4-(bromomethyl)-1-(4-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168505566
4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168505583
4-(bromomethyl)-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 168503684
4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168505915
4-(bromomethyl)-1-[3-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168506138
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
4-(bromomethyl)-1-(2,6-diethylphenyl)pyrrolidin-2-one
CID 168503911

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-phenylpyrrolidin-2-one (CID 23591967) is 4-(bromomethyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-phenylpyrrolidin-2-one is O=C1CC(CBr)CN1c1ccccc1.
What is the InChIKey of 4-(bromomethyl)-1-phenylpyrrolidin-2-one?
The InChIKey is ALBIXDDYRGRPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-7-9-6-11(14)13(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2.
What are the key properties of 4-(bromomethyl)-1-phenylpyrrolidin-2-one?
4-(bromomethyl)-1-phenylpyrrolidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 23591967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).