2-[(4-bromophenyl)methyl]pyrrolidin-3-one

C11H12BrNO — CID 83843927

IUPAC2-[(4-bromophenyl)methyl]pyrrolidin-3-one
SMILESO=C1CCNC1Cc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c12-9-3-1-8(2-4-9)7-10-11(14)5-6-13-10/h1-4,10,13H,5-7H2
InChIKeySPFPLGHUZHBPTI-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.92
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]pyrrolidin-3-one

2-[(4-bromophenyl)methyl]pyrrolidin-3-one (PubChem CID 83843927) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]pyrrolidin-3-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]pyrrolidin-3-one
PubChem CID83843927
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-[(4-bromophenyl)methyl]pyrrolidin-3-one
SMILESO=C1CCNC1Cc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c12-9-3-1-8(2-4-9)7-10-11(14)5-6-13-10/h1-4,10,13H,5-7H2
InChIKeySPFPLGHUZHBPTI-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyridin-4-ylmethyl)pyrrolidin-3-one
CID 83827595
2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-one
CID 83841846
2-[(2-methylphenyl)methyl]pyrrolidin-3-one
CID 83829267
1-[(4-bromophenyl)methyl]-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 66606572
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
(2S)-2-[(4-bromophenyl)methyl]piperazine
CID 69489620
3-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45037424
(2S)-2-[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 174210894
2-(2,2-dimethylpropyl)pyrrolidin-3-one
CID 83826483
4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one
CID 91375071
trans-(2R,4R)-2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-one
CID 129377272
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]pyrrolidin-3-one?
The IUPAC name of 2-[(4-bromophenyl)methyl]pyrrolidin-3-one (CID 83843927) is 2-[(4-bromophenyl)methyl]pyrrolidin-3-one.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]pyrrolidin-3-one?
The canonical SMILES for 2-[(4-bromophenyl)methyl]pyrrolidin-3-one is O=C1CCNC1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]pyrrolidin-3-one?
The InChIKey is SPFPLGHUZHBPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-9-3-1-8(2-4-9)7-10-11(14)5-6-13-10/h1-4,10,13H,5-7H2.
What are the key properties of 2-[(4-bromophenyl)methyl]pyrrolidin-3-one?
2-[(4-bromophenyl)methyl]pyrrolidin-3-one has a molecular weight of 254.13 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]pyrrolidin-3-one is sourced from PubChem (CID 83843927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).