2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C29H35N3O5 — CID 163673234

About 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163673234) has the molecular formula C29H35N3O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
• PubChem CID: 163673234
• Molecular Formula: C29H35N3O5
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.26
• IUPAC Name: 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
• SMILES: CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c3c(ccc2[nH]1)CCO3
• InChI: InChI=1S/C29H35N3O5/c1-2-24(33)22(13-17-5-4-8-25(17)34)31-28(35)26-19-7-3-6-18(19)15-32(26)29(36)23-14-20-21(30-23)10-9-16-11-12-37-27(16)20/h9-10,14,17-19,22,26,30H,2-8,11-13,15H2,1H3,(H,31,35)
• InChIKey: JOHNYNWBFUFHEZ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 108.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The IUPAC name of 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163673234) is 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

What is the SMILES notation for 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The canonical SMILES for 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CCC(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c3c(ccc2[nH]1)CCO3.

What is the InChIKey of 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The InChIKey is JOHNYNWBFUFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O5/c1-2-24(33)22(13-17-5-4-8-25(17)34)31-28(35)26-19-7-3-6-18(19)15-32(26)29(36)23-14-20-21(30-23)10-9-16-11-12-37-27(16)20/h9-10,14,17-19,22,26,30H,2-8,11-13,15H2,1H3,(H,31,35).

What are the key properties of 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163673234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).