5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

C19H26N2O4 — CID 156603335

About 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 156603335) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

• Compound Name: 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
• PubChem CID: 156603335
• Molecular Formula: C19H26N2O4
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.19
• IUPAC Name: 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
• SMILES: C=CCN1CC2CN(C(=O)c3cc(C(C)C)oc3C)CC2(C(=O)O)C1
• InChI: InChI=1S/C19H26N2O4/c1-5-6-20-8-14-9-21(11-19(14,10-20)18(23)24)17(22)15-7-16(12(2)3)25-13(15)4/h5,7,12,14H,1,6,8-11H2,2-4H3,(H,23,24)
• InChIKey: GWNTXFPYHBHICN-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 73.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?

The IUPAC name of 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid (CID 156603335) is 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid.

What is the SMILES notation for 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?

The canonical SMILES for 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid is C=CCN1CC2CN(C(=O)c3cc(C(C)C)oc3C)CC2(C(=O)O)C1.

What is the InChIKey of 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?

The InChIKey is GWNTXFPYHBHICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-6-20-8-14-9-21(11-19(14,10-20)18(23)24)17(22)15-7-16(12(2)3)25-13(15)4/h5,7,12,14H,1,6,8-11H2,2-4H3,(H,23,24).

What are the key properties of 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid?

5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-prop-2-enyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 156603335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).