(1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione

C24H35NO3 — CID 46882242

About (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione

(1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione (PubChem CID 46882242) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione.

Molecular Properties

• Compound Name: (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione
• PubChem CID: 46882242
• Molecular Formula: C24H35NO3
• Molecular Weight: 385.55 g/mol
• Exact Mass: 385.26
• IUPAC Name: (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione
• SMILES: CC1(C)CC[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)OC1=O
• InChI: InChI=1S/C24H35NO3/c1-21(2)13-14-24(28-20(21)27)12-8-17-15-5-6-18-22(3,10-9-19(26)25-18)16(15)7-11-23(17,24)4/h9-10,15-18H,5-8,11-14H2,1-4H3,(H,25,26)/t15-,16+,17+,18-,22-,23+,24-/m1/s1
• InChIKey: PMOTURMGOYYNFQ-BCJWUURHSA-N
• XLogP: 4.39
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.55
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione?

The IUPAC name of (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione (CID 46882242) is (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione.

What is the SMILES notation for (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione?

The canonical SMILES for (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione is CC1(C)CC[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)OC1=O.

What is the InChIKey of (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione?

The InChIKey is PMOTURMGOYYNFQ-BCJWUURHSA-N. The full InChI is InChI=1S/C24H35NO3/c1-21(2)13-14-24(28-20(21)27)12-8-17-15-5-6-18-22(3,10-9-19(26)25-18)16(15)7-11-23(17,24)4/h9-10,15-18H,5-8,11-14H2,1-4H3,(H,25,26)/t15-,16+,17+,18-,22-,23+,24-/m1/s1.

What are the key properties of (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione?

(1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione has a molecular weight of 385.55 g/mol, XLogP of 4.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',9a,11a-tetramethylspiro[3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[5,4-f]quinoline-1,6'-oxane]-2',7-dione is sourced from PubChem (CID 46882242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).