(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione

C19H17NO4 — CID 7343763

IUPAC(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO4/c21-18-10-15(8-13-4-2-1-3-5-13)19(22)20(18)11-14-6-7-16-17(9-14)24-12-23-16/h1-7,9,15H,8,10-12H2/t15-/m1/s1
InChIKeyQIGLHWAASGTIIN-OAHLLOKOSA-N
MW323.35 g/mol
LogP2.53
Rot. Bonds4

About (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione

(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione (PubChem CID 7343763) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione
PubChem CID7343763
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO4/c21-18-10-15(8-13-4-2-1-3-5-13)19(22)20(18)11-14-6-7-16-17(9-14)24-12-23-16/h1-7,9,15H,8,10-12H2/t15-/m1/s1
InChIKeyQIGLHWAASGTIIN-OAHLLOKOSA-N
XLogP2.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
(5S)-1-(1,3-benzodioxol-5-ylmethyl)-3,5-dibenzylimidazolidine-2,4-dione
CID 142653839
(3aS,7aS)-2-(1,3-benzodioxol-5-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51530848
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 5181338
(3S)-3-benzyl-1-(furan-2-ylmethyl)pyrrolidine-2,5-dione
CID 795693
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
4-(1,3-benzodioxol-5-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5233992
(3aR,6aS)-5-(1,3-benzodioxol-5-ylmethyl)-2-[(3-bromophenyl)methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91906010
(6R)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 1141378
3-benzyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-2,5-dione
CID 91651949
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione (CID 7343763) is (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione is O=C1C[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2.
What is the InChIKey of (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione?
The InChIKey is QIGLHWAASGTIIN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17NO4/c21-18-10-15(8-13-4-2-1-3-5-13)19(22)20(18)11-14-6-7-16-17(9-14)24-12-23-16/h1-7,9,15H,8,10-12H2/t15-/m1/s1.
What are the key properties of (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione?
(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione has a molecular weight of 323.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylpyrrolidine-2,5-dione is sourced from PubChem (CID 7343763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).