3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one

C15H17ClN2O3 — CID 126853836

IUPAC3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccccc1Cl)N1CCC(N2CCOC2=O)C1
InChIInChI=1S/C15H17ClN2O3/c16-13-4-2-1-3-11(13)9-14(19)17-6-5-12(10-17)18-7-8-21-15(18)20/h1-4,12H,5-10H2
InChIKeyDCAJEOWDNKNOBH-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.94
Rot. Bonds3

About 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one

3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 126853836) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID126853836
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccccc1Cl)N1CCC(N2CCOC2=O)C1
InChIInChI=1S/C15H17ClN2O3/c16-13-4-2-1-3-11(13)9-14(19)17-6-5-12(10-17)18-7-8-21-15(18)20/h1-4,12H,5-10H2
InChIKeyDCAJEOWDNKNOBH-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
2-(2-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746322
2-(2-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone;hydrochloride
CID 119638440
2-(2-chlorophenyl)-1-[(3R)-3-methylsulfanylpyrrolidin-1-yl]ethanone
CID 99903244
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
8-[2-(2-chlorophenyl)acetyl]-2-cyclohexyl-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 154579301
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 71805583
3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134800449
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 126853836) is 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is O=C(Cc1ccccc1Cl)N1CCC(N2CCOC2=O)C1.
What is the InChIKey of 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is DCAJEOWDNKNOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-13-4-2-1-3-11(13)9-14(19)17-6-5-12(10-17)18-7-8-21-15(18)20/h1-4,12H,5-10H2.
What are the key properties of 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 308.76 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 126853836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).