(3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione

C15H16N2O5 — CID 7126435

IUPAC(3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O5/c18-14-8-11(16-3-5-20-6-4-16)15(19)17(14)10-1-2-12-13(7-10)22-9-21-12/h1-2,7,11H,3-6,8-9H2/t11-/m1/s1
InChIKeyRSPIIDWDCDJEIP-LLVKDONJSA-N
MW304.30 g/mol
LogP0.38
Rot. Bonds2

About (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione

(3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 7126435) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID7126435
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C15H16N2O5/c18-14-8-11(16-3-5-20-6-4-16)15(19)17(14)10-1-2-12-13(7-10)22-9-21-12/h1-2,7,11H,3-6,8-9H2/t11-/m1/s1
InChIKeyRSPIIDWDCDJEIP-LLVKDONJSA-N
XLogP0.38
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 27523171
(3R)-1-(1,3-benzodioxol-5-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7305222
(3R)-3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 28922649
(3R)-1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7332545
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1214367
ethyl 1-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17228688
(3S)-1-(1,3-benzodioxol-5-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 41270678
1-[1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-4-phenylpiperidine-4-carbonitrile
CID 2996986
[4-[(3R)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 1376662
4-[(3S)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 710147
1-(1,3-benzodioxol-5-yl)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 5296810
(3R)-1-(1,3-benzodioxol-5-yl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidine-2,5-dione
CID 98299744

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 7126435) is (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione is O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc2c(c1)OCO2.
What is the InChIKey of (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is RSPIIDWDCDJEIP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2O5/c18-14-8-11(16-3-5-20-6-4-16)15(19)17(14)10-1-2-12-13(7-10)22-9-21-12/h1-2,7,11H,3-6,8-9H2/t11-/m1/s1.
What are the key properties of (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
(3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 304.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 7126435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).