1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one

C13H14BrNO2 — CID 63102277

IUPAC1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CC(=O)c2ccccc2Br)C1
InChIInChI=1S/C13H14BrNO2/c1-9-6-13(17)15(7-9)8-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3
InChIKeyROXDARRMHJWNEK-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.50
Rot. Bonds3

About 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one

1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one (PubChem CID 63102277) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
PubChem CID63102277
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CC(=O)c2ccccc2Br)C1
InChIInChI=1S/C13H14BrNO2/c1-9-6-13(17)15(7-9)8-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3
InChIKeyROXDARRMHJWNEK-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63104444
4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one
CID 63102450
2-[2-(2-bromophenyl)-2-oxoethyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513632
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
1-[2-(2-bromophenyl)-2-oxoethyl]azepan-2-one
CID 62023147
4-[2-(2-bromophenyl)-2-oxoethyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075364
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
CID 63102645
1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102449
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 60708838
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277
1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one
CID 80581514

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one (CID 63102277) is 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one is CC1CC(=O)N(CC(=O)c2ccccc2Br)C1.
What is the InChIKey of 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The InChIKey is ROXDARRMHJWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-9-6-13(17)15(7-9)8-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one has a molecular weight of 296.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63102277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).