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

C14H13FN2O4 — CID 100726928

IUPAC3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccccc1F)N1CC[C@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C14H13FN2O4/c15-11-4-2-1-3-10(11)13(19)16-6-5-9(7-16)17-12(18)8-21-14(17)20/h1-4,9H,5-8H2/t9-/m0/s1
InChIKeyCRRVLVLRYLRBRZ-VIFPVBQESA-N
MW292.27 g/mol
LogP1.02
Rot. Bonds2

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

3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100726928) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100726928
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1ccccc1F)N1CC[C@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C14H13FN2O4/c15-11-4-2-1-3-10(11)13(19)16-6-5-9(7-16)17-12(18)8-21-14(17)20/h1-4,9H,5-8H2/t9-/m0/s1
InChIKeyCRRVLVLRYLRBRZ-VIFPVBQESA-N
XLogP1.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727831
1-ethyl-3-[(3R)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 141450745
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814981
3-[(3R)-1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728081
3-[1-(2-bromo-5-methoxybenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814964
3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727451
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
1-[1-[1-(2-fluorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 134799253
3-[(3S)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727854
N-[3-[3-(2,4-dioxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]-3-fluorobenzenesulfonamide
CID 91814970

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100726928) is 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C(c1ccccc1F)N1CC[C@H](N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CRRVLVLRYLRBRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13FN2O4/c15-11-4-2-1-3-10(11)13(19)16-6-5-9(7-16)17-12(18)8-21-14(17)20/h1-4,9H,5-8H2/t9-/m0/s1.
What are the key properties of 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 292.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100726928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).