2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H22N2O3 — CID 102890404

About 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102890404) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
• PubChem CID: 102890404
• Molecular Formula: C15H22N2O3
• Molecular Weight: 278.35 g/mol
• Exact Mass: 278.16
• IUPAC Name: 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
• SMILES: O=C(O)C1C2CCCC2CN1C(=O)NC1CC=CCC1
• InChI: InChI=1S/C15H22N2O3/c18-14(19)13-12-8-4-5-10(12)9-17(13)15(20)16-11-6-2-1-3-7-11/h1-2,10-13H,3-9H2,(H,16,20)(H,18,19)
• InChIKey: IUAASZLCMVDBBX-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.35
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The IUPAC name of 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102890404) is 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

What is the SMILES notation for 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The canonical SMILES for 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is O=C(O)C1C2CCCC2CN1C(=O)NC1CC=CCC1.

What is the InChIKey of 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

The InChIKey is IUAASZLCMVDBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(19)13-12-8-4-5-10(12)9-17(13)15(20)16-11-6-2-1-3-7-11/h1-2,10-13H,3-9H2,(H,16,20)(H,18,19).

What are the key properties of 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?

2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclohex-3-en-1-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102890404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).