(3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C18H18N2O3 — CID 97376730

About (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 97376730) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

• Compound Name: (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
• PubChem CID: 97376730
• Molecular Formula: C18H18N2O3
• Molecular Weight: 310.35 g/mol
• Exact Mass: 310.13
• IUPAC Name: (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
• SMILES: Cc1ccc(C(=O)N2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)o1
• InChI: InChI=1S/C18H18N2O3/c1-12-7-8-16(23-12)18(22)19-9-13-10-20(17(21)15(13)11-19)14-5-3-2-4-6-14/h2-8,13,15H,9-11H2,1H3/t13-,15-/m0/s1
• InChIKey: FDFMYEKBXMCFEJ-ZFWWWQNUSA-N
• XLogP: 2.32
• TPSA: 53.76 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.35
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?

The IUPAC name of (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 97376730) is (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

What is the SMILES notation for (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?

The canonical SMILES for (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is Cc1ccc(C(=O)N2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)o1.

What is the InChIKey of (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?

The InChIKey is FDFMYEKBXMCFEJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-7-8-16(23-12)18(22)19-9-13-10-20(17(21)15(13)11-19)14-5-3-2-4-6-14/h2-8,13,15H,9-11H2,1H3/t13-,15-/m0/s1.

What are the key properties of (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?

(3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 310.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,6aS)-2-(5-methylfuran-2-carbonyl)-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 97376730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).