3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C21H18N2O5 — CID 100727451

IUPAC3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C21H18N2O5/c24-18-12-27-21(26)23(18)13-9-10-22(11-13)20(25)19-14-5-1-3-7-16(14)28-17-8-4-2-6-15(17)19/h1-8,13,19H,9-12H2/t13-/m1/s1
InChIKeyLMYMVCLVTONBMM-CYBMUJFWSA-N
MW378.38 g/mol
LogP2.50
Rot. Bonds2

About 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100727451) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100727451
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C21H18N2O5/c24-18-12-27-21(26)23(18)13-9-10-22(11-13)20(25)19-14-5-1-3-7-16(14)28-17-8-4-2-6-15(17)19/h1-8,13,19H,9-12H2/t13-/m1/s1
InChIKeyLMYMVCLVTONBMM-CYBMUJFWSA-N
XLogP2.50
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727831
3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726928
3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
3-[(3R)-1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728081
3-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726702
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone
CID 71805694
(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone
CID 55950323
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
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-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727878
methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
CID 1147765

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100727451) is 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is LMYMVCLVTONBMM-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-18-12-27-21(26)23(18)13-9-10-22(11-13)20(25)19-14-5-1-3-7-16(14)28-17-8-4-2-6-15(17)19/h1-8,13,19H,9-12H2/t13-/m1/s1.
What are the key properties of 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 378.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100727451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).