(3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione

C15H17NO3 — CID 139232635

IUPAC(3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione
SMILESC[C@@H]1[C@@H]2OC(=O)C[C@@]2(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-10-13-15(2,8-12(17)19-13)14(18)16(10)9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-,13+,15-/m1/s1
InChIKeyYLPRWTWJXPXCME-RIEGTJTDSA-N
MW259.30 g/mol
LogP1.74
Rot. Bonds2

About (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione

(3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione (PubChem CID 139232635) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione.

Molecular Properties

Compound Name(3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione
PubChem CID139232635
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione
SMILESC[C@@H]1[C@@H]2OC(=O)C[C@@]2(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO3/c1-10-13-15(2,8-12(17)19-13)14(18)16(10)9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-,13+,15-/m1/s1
InChIKeyYLPRWTWJXPXCME-RIEGTJTDSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione with MolForge

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Related Compounds

[(3aS,6aS)-5-benzyl-2,4,6-trioxo-3,6a-dihydrofuro[2,3-c]pyrrol-3a-yl] acetate
CID 11150827
(3R,3aR,6aR)-2-benzyl-3-propan-2-yl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 134923897
[(2R,3S)-1-benzyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 12172851
(3aS,6aR)-3a,6a-dimethyl-6-[(1S)-1-phenylethyl]-3,4-dihydrofuro[2,3-b]pyrrole-2,5-dione
CID 16102303
(3S,3aR,6aR)-2-benzyl-3-propan-2-yl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 134923896
(3S,3aR,6aR)-2-benzyl-3-tert-butyl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 134924519
(3R,3aR,6aR)-2-benzyl-3-tert-butyl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 134924520
(3S,3aR,6aR)-2-benzyl-3-ethyl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 134925341
(3R,3aR,6aR)-2-benzyl-3-ethyl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 134925342
Ethyl 2-((5R)-1-benzyl-4-hydroxy-3,5-dimethyl-2-oxopyrrolidin-3-yl)acetate
CID 139232619
(3S,4S,5R)-Methyl 1-benzyl-3-(2-ethoxy-2-oxoethyl)-4-hydroxy-5-methyl-2-oxopyrrolidine-3-carboxylate
CID 139232620
(3R,4R,5R)-methyl 1-benzyl-3-(2-ethoxy-2-oxoethyl)-4-hydroxy-5-methyl-2-oxopyrrolidine-3-carboxylate
CID 139232621

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione?
The IUPAC name of (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione (CID 139232635) is (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione.
What is the SMILES notation for (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione?
The canonical SMILES for (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione is C[C@@H]1[C@@H]2OC(=O)C[C@@]2(C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione?
The InChIKey is YLPRWTWJXPXCME-RIEGTJTDSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-13-15(2,8-12(17)19-13)14(18)16(10)9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3/t10-,13+,15-/m1/s1.
What are the key properties of (3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione?
(3aR,6R,6aR)-5-benzyl-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione has a molecular weight of 259.30 g/mol, XLogP of 1.74, 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-3a,6-dimethyl-6,6a-dihydro-3H-furo[2,3-c]pyrrole-2,4-dione is sourced from PubChem (CID 139232635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).