5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione

C14H15NO3 — CID 83851212

IUPAC5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione
SMILESCC1C2C(=O)OC(=O)C2CN1Cc1ccccc1
InChIInChI=1S/C14H15NO3/c1-9-12-11(13(16)18-14(12)17)8-15(9)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyPFQJRDPNJXCJCG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.21
Rot. Bonds2

About 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione

5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione (PubChem CID 83851212) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione
PubChem CID83851212
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione
SMILESCC1C2C(=O)OC(=O)C2CN1Cc1ccccc1
InChIInChI=1S/C14H15NO3/c1-9-12-11(13(16)18-14(12)17)8-15(9)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyPFQJRDPNJXCJCG-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 83851213
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
1-benzyl-2-methylimidazolidin-4-one
CID 138110115
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
(3aS,4R,6aS)-5-benzyl-2-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129497308
(3aR,4R,6aS)-5-benzyl-2-methyl-4-propan-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129499498
(4S,5R,6S)-1-benzyl-4,5,6-trimethylpiperidin-3-one
CID 99723982
1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
CID 124709573
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione?
The IUPAC name of 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione (CID 83851212) is 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione is CC1C2C(=O)OC(=O)C2CN1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione?
The InChIKey is PFQJRDPNJXCJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-12-11(13(16)18-14(12)17)8-15(9)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3.
What are the key properties of 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione?
5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-3a,4,6,6a-tetrahydrofuro[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 83851212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).