(3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one

C15H19NO3 — CID 11032662

IUPAC(3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
SMILESC[C@@H]1[C@H]2OC(C)(C)O[C@H]2C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-10-12-13(19-15(2,3)18-12)14(17)16(10)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t10-,12-,13-/m1/s1
InChIKeyUPIHYLNIDQKJNU-RAIGVLPGSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds2

About (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one

(3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one (PubChem CID 11032662) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
PubChem CID11032662
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
SMILESC[C@@H]1[C@H]2OC(C)(C)O[C@H]2C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO3/c1-10-12-13(19-15(2,3)18-12)14(17)16(10)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t10-,12-,13-/m1/s1
InChIKeyUPIHYLNIDQKJNU-RAIGVLPGSA-N
XLogP1.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one with MolForge

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Related Compounds

(3aS,4R,6aR)-5-benzyl-4-hydroxy-2,2-dimethyl-4-(trifluoromethyl)-3a,6a-dihydro-[1,3]dioxolo[4,5-c]pyrrol-6-one
CID 168331635
(3aS,4R,6aR)-4-hydroxy-2,2-dimethyl-5-[(1R)-1-phenylethyl]-4-(trifluoromethyl)-3a,6a-dihydro-[1,3]dioxolo[4,5-c]pyrrol-6-one
CID 168331637
(3aS,4R,6aR)-5-benzyl-4-ethenyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11345972
[(3S,4R)-4-acetyloxy-1-benzyl-2,5-dioxopyrrolidin-3-yl] acetate
CID 10935626
(3aR,6aS)-5-benzyl-2,2-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-c]pyrrole-4,6-dione
CID 12056364
1-Benzyl-3,3-dimethoxy-2-pyrrolidinone
CID 393285
(3aS,6aR)-5-benzylspiro[3a,6a-dihydro-[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]-4,6-dione
CID 14706775
(3aS,6S,6aR)-5-benzyl-6-hydroxyspiro[6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]-4-one
CID 14706777
(3aS,4S,6R,6aR)-5-benzyl-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10989425
(3aS,4S,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carbaldehyde
CID 11230751
[(2R,3S)-1-benzyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 12172851
(3aR,6aS)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]spiro[3a,6a-dihydro-[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]-4,6-dione
CID 14355164

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The IUPAC name of (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one (CID 11032662) is (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one.
What is the SMILES notation for (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The canonical SMILES for (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one is C[C@@H]1[C@H]2OC(C)(C)O[C@H]2C(=O)N1Cc1ccccc1.
What is the InChIKey of (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The InChIKey is UPIHYLNIDQKJNU-RAIGVLPGSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-12-13(19-15(2,3)18-12)14(17)16(10)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3/t10-,12-,13-/m1/s1.
What are the key properties of (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
(3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-5-benzyl-2,2,6-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one is sourced from PubChem (CID 11032662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).