1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one

C11H12BrNO3 — CID 84581219

IUPAC1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C11H12BrNO3/c1-11(2)8(14)5-6-13(11)10(15)7-3-4-9(12)16-7/h3-4H,5-6H2,1-2H3
InChIKeyKQJHJDWXOCJAKJ-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.24
Rot. Bonds1

About 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one

1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one (PubChem CID 84581219) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one
PubChem CID84581219
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C11H12BrNO3/c1-11(2)8(14)5-6-13(11)10(15)7-3-4-9(12)16-7/h3-4H,5-6H2,1-2H3
InChIKeyKQJHJDWXOCJAKJ-UHFFFAOYSA-N
XLogP2.24
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462950
1-(5-bromofuran-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595385
1-benzoyl-2,2-dimethylpyrrolidin-3-one
CID 66936289
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
[(2S,5S)-4-(5-bromofuran-2-carbonyl)-2,5-dimethylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 1010202
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074370
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one?
The IUPAC name of 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one (CID 84581219) is 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one.
What is the SMILES notation for 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one?
The canonical SMILES for 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one is CC1(C)C(=O)CCN1C(=O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one?
The InChIKey is KQJHJDWXOCJAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-11(2)8(14)5-6-13(11)10(15)7-3-4-9(12)16-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one?
1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one has a molecular weight of 286.12 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-carbonyl)-2,2-dimethylpyrrolidin-3-one is sourced from PubChem (CID 84581219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).