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

C11H12BrNO — CID 76800077

IUPAC1-(4-bromophenyl)-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H12BrNO/c1-8-6-11(14)13(7-8)10-4-2-9(12)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyUBJAOTKCZPYKTA-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.82
Rot. Bonds1

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

1-(4-bromophenyl)-4-methylpyrrolidin-2-one (PubChem CID 76800077) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methylpyrrolidin-2-one
PubChem CID76800077
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name1-(4-bromophenyl)-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H12BrNO/c1-8-6-11(14)13(7-8)10-4-2-9(12)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyUBJAOTKCZPYKTA-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 91609229
CID 91609229
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
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(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
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CID 168715505
(3,5-dimethylphenyl) (3R)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056985
1-(4-bromophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3373774
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
(3R)-3-amino-1-(4-bromophenyl)azetidin-2-one
CID 124678513
(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 40979269
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-bromophenyl)-4-methylpyrrolidin-2-one (CID 76800077) is 1-(4-bromophenyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-4-methylpyrrolidin-2-one is CC1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-4-methylpyrrolidin-2-one?
The InChIKey is UBJAOTKCZPYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8-6-11(14)13(7-8)10-4-2-9(12)3-5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-methylpyrrolidin-2-one?
1-(4-bromophenyl)-4-methylpyrrolidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 76800077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).