1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one

C12H14BrNO — CID 117016957

IUPAC1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1c1ccccc1Br
InChIInChI=1S/C12H14BrNO/c1-12(2)11(15)7-8-14(12)10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3
InChIKeyZKSYGGIDUXPANN-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.01
Rot. Bonds1

About 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one

1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one (PubChem CID 117016957) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
PubChem CID117016957
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1c1ccccc1Br
InChIInChI=1S/C12H14BrNO/c1-12(2)11(15)7-8-14(12)10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3
InChIKeyZKSYGGIDUXPANN-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
1-(2,3-dimethylphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016911
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-one
CID 117019137
1-(2,5-dichlorophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016966
2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one
CID 118065290
1-(2-bromophenyl)-1,4-diazepane-2,5-dione
CID 64962319
2-[1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017594
1-(2-bromophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 5267556
6-bromo-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115098413
4-(2-bromophenyl)-1-methyl-1,4-diazepan-2-one
CID 117005401
1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol
CID 117024252
2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43385968

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one?
The IUPAC name of 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one (CID 117016957) is 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one.
What is the SMILES notation for 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one?
The canonical SMILES for 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one is CC1(C)C(=O)CCN1c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one?
The InChIKey is ZKSYGGIDUXPANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-12(2)11(15)7-8-14(12)10-6-4-3-5-9(10)13/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one?
1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one has a molecular weight of 268.15 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one is sourced from PubChem (CID 117016957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).