3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H33N3O4 — CID 26139409

About 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26139409) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26139409
• Molecular Formula: C27H33N3O4
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.25
• IUPAC Name: 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C(C)=C/c1ccco1)CC2
• InChI: InChI=1S/C27H33N3O4/c1-20(16-24-8-5-14-34-24)19-28-11-9-27(10-12-28)25(31)30(26(32)29(27)13-15-33-2)23-17-21-6-3-4-7-22(21)18-23/h3-8,14,16,23H,9-13,15,17-19H2,1-2H3/b20-16+
• InChIKey: UYWPPNDEJKPYRS-CAPFRKAQSA-N
• XLogP: 3.60
• TPSA: 66.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26139409) is 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C(C)=C/c1ccco1)CC2.

What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is UYWPPNDEJKPYRS-CAPFRKAQSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-20(16-24-8-5-14-34-24)19-28-11-9-27(10-12-28)25(31)30(26(32)29(27)13-15-33-2)23-17-21-6-3-4-7-22(21)18-23/h3-8,14,16,23H,9-13,15,17-19H2,1-2H3/b20-16+.

What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 463.58 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-2-yl)-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26139409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).