4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one

C12H14BrNO2 — CID 168505915

IUPAC4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccccc1CO
InChIInChI=1S/C12H14BrNO2/c13-6-9-5-12(16)14(7-9)11-4-2-1-3-10(11)8-15/h1-4,9,15H,5-8H2
InChIKeyKPRGHTPEIZJZQP-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.93
Rot. Bonds3

About 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one

4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one (PubChem CID 168505915) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one
PubChem CID168505915
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccccc1CO
InChIInChI=1S/C12H14BrNO2/c13-6-9-5-12(16)14(7-9)11-4-2-1-3-10(11)8-15/h1-4,9,15H,5-8H2
InChIKeyKPRGHTPEIZJZQP-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168504286
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168503974
4-(bromomethyl)-1-(2,6-diethylphenyl)pyrrolidin-2-one
CID 168503911
4-(bromomethyl)-1-(2-bromo-3-methylphenyl)pyrrolidin-2-one
CID 168504687
2-bromo-6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168506117
1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505646
4-(aminomethyl)-1-[4-chloro-2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168660632
[1-[2-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677418
4-(bromomethyl)-1-(3-chloro-2-nitrophenyl)pyrrolidin-2-one
CID 168506155

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one (CID 168505915) is 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one is O=C1CC(CBr)CN1c1ccccc1CO.
What is the InChIKey of 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one?
The InChIKey is KPRGHTPEIZJZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-6-9-5-12(16)14(7-9)11-4-2-1-3-10(11)8-15/h1-4,9,15H,5-8H2.
What are the key properties of 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one?
4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one has a molecular weight of 284.15 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168505915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).