3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C15H15BrN2O4 — CID 100727878

IUPAC3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cc1ccc(Br)cc1)N1CC[C@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C15H15BrN2O4/c16-11-3-1-10(2-4-11)7-13(19)17-6-5-12(8-17)18-14(20)9-22-15(18)21/h1-4,12H,5-9H2/t12-/m0/s1
InChIKeyWDGHPBNDINVYKU-LBPRGKRZSA-N
MW367.20 g/mol
LogP1.57
Rot. Bonds3

About 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100727878) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100727878
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(Cc1ccc(Br)cc1)N1CC[C@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C15H15BrN2O4/c16-11-3-1-10(2-4-11)7-13(19)17-6-5-12(8-17)18-14(20)9-22-15(18)21/h1-4,12H,5-9H2/t12-/m0/s1
InChIKeyWDGHPBNDINVYKU-LBPRGKRZSA-N
XLogP1.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728081
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105359
3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814941
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814981
3-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726702
3-[(3R)-1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727672
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
3-[(3S)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727854
3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727831
3-[(3R)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727385
3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726928

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100727878) is 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C(Cc1ccc(Br)cc1)N1CC[C@H](N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is WDGHPBNDINVYKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-11-3-1-10(2-4-11)7-13(19)17-6-5-12(8-17)18-14(20)9-22-15(18)21/h1-4,12H,5-9H2/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 367.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100727878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).