1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid

C11H13NO4 — CID 103979341

About 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid

1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 103979341) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid
• PubChem CID: 103979341
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.23 g/mol
• Exact Mass: 223.08
• IUPAC Name: 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid
• SMILES: O=C1C2CCCC2C(=O)N1C1(C(=O)O)CC1
• InChI: InChI=1S/C11H13NO4/c13-8-6-2-1-3-7(6)9(14)12(8)11(4-5-11)10(15)16/h6-7H,1-5H2,(H,15,16)
• InChIKey: BKSARHJAUHJDBO-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 74.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.23
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid?

The IUPAC name of 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid (CID 103979341) is 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid is O=C1C2CCCC2C(=O)N1C1(C(=O)O)CC1.

What is the InChIKey of 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid?

The InChIKey is BKSARHJAUHJDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-8-6-2-1-3-7(6)9(14)12(8)11(4-5-11)10(15)16/h6-7H,1-5H2,(H,15,16).

What are the key properties of 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid?

1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103979341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).