2-(3-bromophenyl)pyrrolidin-3-one

C10H10BrNO — CID 83843081

IUPAC2-(3-bromophenyl)pyrrolidin-3-one
SMILESO=C1CCNC1c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10-9(13)4-5-12-10/h1-3,6,10,12H,4-5H2
InChIKeyUEWJIOFNJMTQLL-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.05
Rot. Bonds1

About 2-(3-bromophenyl)pyrrolidin-3-one

2-(3-bromophenyl)pyrrolidin-3-one (PubChem CID 83843081) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(3-bromophenyl)pyrrolidin-3-one
PubChem CID83843081
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(3-bromophenyl)pyrrolidin-3-one
SMILESO=C1CCNC1c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10-9(13)4-5-12-10/h1-3,6,10,12H,4-5H2
InChIKeyUEWJIOFNJMTQLL-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride
CID 115038654
2-(3-bromophenyl)imidazolidine
CID 57237390
2-(3,4-dihydroxyphenyl)pyrrolidin-3-one
CID 83830296
1-(3-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3933810
2-(2-bromophenyl)pyrrolidin-3-one;hydrochloride
CID 115051098
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
1-(3-bromophenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3980895
(5R)-5-(3-bromophenyl)-1,3-oxazinan-2-one
CID 129411947
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
6-bromo-1-(3-iodophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3924530
(2S)-2-(3-bromophenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 86334224
2-(3-bromophenyl)-1-(3-chlorophenyl)imidazolidine
CID 100951353

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyrrolidin-3-one?
The IUPAC name of 2-(3-bromophenyl)pyrrolidin-3-one (CID 83843081) is 2-(3-bromophenyl)pyrrolidin-3-one.
What is the SMILES notation for 2-(3-bromophenyl)pyrrolidin-3-one?
The canonical SMILES for 2-(3-bromophenyl)pyrrolidin-3-one is O=C1CCNC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)pyrrolidin-3-one?
The InChIKey is UEWJIOFNJMTQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10-9(13)4-5-12-10/h1-3,6,10,12H,4-5H2.
What are the key properties of 2-(3-bromophenyl)pyrrolidin-3-one?
2-(3-bromophenyl)pyrrolidin-3-one has a molecular weight of 240.10 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)pyrrolidin-3-one is sourced from PubChem (CID 83843081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).