1-[(3-bromophenyl)methyl]pyrrolidin-2-one

C11H12BrNO — CID 61414137

IUPAC1-[(3-bromophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(Br)c1
InChIInChI=1S/C11H12BrNO/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8H2
InChIKeyPYEQTFFTUHXGPM-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.57
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]pyrrolidin-2-one

1-[(3-bromophenyl)methyl]pyrrolidin-2-one (PubChem CID 61414137) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]pyrrolidin-2-one
PubChem CID61414137
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name1-[(3-bromophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(Br)c1
InChIInChI=1S/C11H12BrNO/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8H2
InChIKeyPYEQTFFTUHXGPM-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
1-[(3-ethylphenyl)methyl]piperidin-2-one
CID 70929088
1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
CID 70502811
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 46596513
1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018803
1-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyrrolidin-2-one
CID 55031427
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837745
1-(4-bromo-2-methylphenyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 112824889
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-bromophenyl)methyl]pyrrolidin-2-one (CID 61414137) is 1-[(3-bromophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-bromophenyl)methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]pyrrolidin-2-one?
The InChIKey is PYEQTFFTUHXGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8H2.
What are the key properties of 1-[(3-bromophenyl)methyl]pyrrolidin-2-one?
1-[(3-bromophenyl)methyl]pyrrolidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 61414137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).