4-(4-bromophenyl)-1-methylpyrrolidin-2-one

C11H12BrNO — CID 162669946

IUPAC4-(4-bromophenyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(c2ccc(Br)cc2)CC1=O
InChIInChI=1S/C11H12BrNO/c1-13-7-9(6-11(13)14)8-2-4-10(12)5-3-8/h2-5,9H,6-7H2,1H3
InChIKeyYMPVAJBVLOEZEX-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.39
Rot. Bonds1

About 4-(4-bromophenyl)-1-methylpyrrolidin-2-one

4-(4-bromophenyl)-1-methylpyrrolidin-2-one (PubChem CID 162669946) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-methylpyrrolidin-2-one
PubChem CID162669946
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name4-(4-bromophenyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(c2ccc(Br)cc2)CC1=O
InChIInChI=1S/C11H12BrNO/c1-13-7-9(6-11(13)14)8-2-4-10(12)5-3-8/h2-5,9H,6-7H2,1H3
InChIKeyYMPVAJBVLOEZEX-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-Bromo-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810967
(2S,3S)-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895802
(2S,3S)-2-amino-3-(4-bromophenyl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 10087948
(3R,5S)-5-(4-bromophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565155
2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
CID 669928
1-Methyl-4-phenylpyrrolidin-2-one
CID 12448963
(4R)-1-methyl-4-phenylpyrrolidin-2-one
CID 89763096
1-(1-Azepanyl)-2-(4-bromophenyl)ethanone
CID 875268
2-(4-bromophenyl)-N-butyl-N-ethylacetamide
CID 2162219
(3R,3aR,7R,7aS)-2-benzyl-3-(2-bromophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060126
(3R,3aS,7R,7aS)-2-benzyl-3-(4-bromo-2-fluorophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746374
2-(4-bromophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877999

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(4-bromophenyl)-1-methylpyrrolidin-2-one (CID 162669946) is 4-(4-bromophenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1-methylpyrrolidin-2-one is CN1CC(c2ccc(Br)cc2)CC1=O.
What is the InChIKey of 4-(4-bromophenyl)-1-methylpyrrolidin-2-one?
The InChIKey is YMPVAJBVLOEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-13-7-9(6-11(13)14)8-2-4-10(12)5-3-8/h2-5,9H,6-7H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-methylpyrrolidin-2-one?
4-(4-bromophenyl)-1-methylpyrrolidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 162669946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).