(3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one

C12H14BrNO2 — CID 163303279

IUPAC(3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCc1ccc([C@]2(O)CCN(C)C2=O)cc1Br
InChIInChI=1S/C12H14BrNO2/c1-8-3-4-9(7-10(8)13)12(16)5-6-14(2)11(12)15/h3-4,7,16H,5-6H2,1-2H3/t12-/m1/s1
InChIKeyUZSFTCBEOGSMHS-GFCCVEGCSA-N
MW284.15 g/mol
LogP1.81
Rot. Bonds1

About (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one

(3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 163303279) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID163303279
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name(3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCc1ccc([C@]2(O)CCN(C)C2=O)cc1Br
InChIInChI=1S/C12H14BrNO2/c1-8-3-4-9(7-10(8)13)12(16)5-6-14(2)11(12)15/h3-4,7,16H,5-6H2,1-2H3/t12-/m1/s1
InChIKeyUZSFTCBEOGSMHS-GFCCVEGCSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303332
(3R)-3-(5-bromo-3-pyridinyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326708
3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 178130983
(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 170327098
3-[3-(3-bromo-4-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350588
1-(3-bromo-4-methylphenyl)-3-methylimidazolidin-2-one
CID 117026496
(3S)-3-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170351361
8-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 144793572
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-5-methylpyridine-2-carboxamide
CID 170575200
tert-butyl-[2-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-1,3-thiazol-4-yl]tin
CID 176894903
3-(3-bromophenyl)-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163303493
(3S)-3-(2-bromophenyl)-3-[(3S)-3-(2-bromophenyl)-1-methyl-2-oxopyrrolidin-3-yl]-1-methylpyrrolidin-2-one
CID 162415743

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one (CID 163303279) is (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one is Cc1ccc([C@]2(O)CCN(C)C2=O)cc1Br.
What is the InChIKey of (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is UZSFTCBEOGSMHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-3-4-9(7-10(8)13)12(16)5-6-14(2)11(12)15/h3-4,7,16H,5-6H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
(3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 284.15 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 163303279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).