(1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one

C23H35NO2 — CID 118718140

IUPAC(1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one
SMILESC[C@H]1C=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12
InChIInChI=1S/C23H35NO2/c1-15-14-18-21(2,10-8-19(25)24(18)4)16-6-11-22(3)17(20(15)16)7-12-23(22)9-5-13-26-23/h14-17,20H,5-13H2,1-4H3/t15-,16-,17-,20+,21+,22-,23-/m0/s1
InChIKeySSFLLJHYNMDQDP-PMSBNLIDSA-N
MW357.54 g/mol
LogP4.77
Rot. Bonds

About (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one

(1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one (PubChem CID 118718140) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one.

Molecular Properties

Compound Name(1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one
PubChem CID118718140
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name(1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one
SMILESC[C@H]1C=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12
InChIInChI=1S/C23H35NO2/c1-15-14-18-21(2,10-8-19(25)24(18)4)16-6-11-22(3)17(20(15)16)7-12-23(22)9-5-13-26-23/h14-17,20H,5-13H2,1-4H3/t15-,16-,17-,20+,21+,22-,23-/m0/s1
InChIKeySSFLLJHYNMDQDP-PMSBNLIDSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one?
The IUPAC name of (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one (CID 118718140) is (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one.
What is the SMILES notation for (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one?
The canonical SMILES for (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one is C[C@H]1C=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12.
What is the InChIKey of (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one?
The InChIKey is SSFLLJHYNMDQDP-PMSBNLIDSA-N. The full InChI is InChI=1S/C23H35NO2/c1-15-14-18-21(2,10-8-19(25)24(18)4)16-6-11-22(3)17(20(15)16)7-12-23(22)9-5-13-26-23/h14-17,20H,5-13H2,1-4H3/t15-,16-,17-,20+,21+,22-,23-/m0/s1.
What are the key properties of (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one?
(1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one has a molecular weight of 357.54 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,3bR,4R,9aR,9bS,11aS)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,2'-oxolane]-7-one is sourced from PubChem (CID 118718140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).