(6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one

C27H42N2O2 — CID 143831337

IUPAC(6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one
SMILESCC1=C2CC3C(CCN4CC(=O)CCC34C)C2CCC2(C1)OC1C[C@H](C)CNC1C2C
InChIInChI=1S/C27H42N2O2/c1-16-11-24-25(28-14-16)18(3)27(31-24)9-6-20-21-7-10-29-15-19(30)5-8-26(29,4)23(21)12-22(20)17(2)13-27/h16,18,20-21,23-25,28H,5-15H2,1-4H3/t16-,18?,20?,21?,23?,24?,25?,26?,27?/m0/s1
InChIKeyMZQIYCFEVNBKRM-LRUYTDHTSA-N
MW426.65 g/mol
LogP4.34
Rot. Bonds

About (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one

(6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one (PubChem CID 143831337) has the molecular formula C27H42N2O2 and a molecular weight of 426.65 g/mol. Its IUPAC name is (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one.

Molecular Properties

Compound Name(6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one
PubChem CID143831337
Molecular FormulaC27H42N2O2
Molecular Weight426.65 g/mol
Exact Mass426.32
IUPAC Name(6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one
SMILESCC1=C2CC3C(CCN4CC(=O)CCC34C)C2CCC2(C1)OC1C[C@H](C)CNC1C2C
InChIInChI=1S/C27H42N2O2/c1-16-11-24-25(28-14-16)18(3)27(31-24)9-6-20-21-7-10-29-15-19(30)5-8-26(29,4)23(21)12-22(20)17(2)13-27/h16,18,20-21,23-25,28H,5-15H2,1-4H3/t16-,18?,20?,21?,23?,24?,25?,26?,27?/m0/s1
InChIKeyMZQIYCFEVNBKRM-LRUYTDHTSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one?
The IUPAC name of (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one (CID 143831337) is (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one.
What is the SMILES notation for (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one?
The canonical SMILES for (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one is CC1=C2CC3C(CCN4CC(=O)CCC34C)C2CCC2(C1)OC1C[C@H](C)CNC1C2C.
What is the InChIKey of (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one?
The InChIKey is MZQIYCFEVNBKRM-LRUYTDHTSA-N. The full InChI is InChI=1S/C27H42N2O2/c1-16-11-24-25(28-14-16)18(3)27(31-24)9-6-20-21-7-10-29-15-19(30)5-8-26(29,4)23(21)12-22(20)17(2)13-27/h16,18,20-21,23-25,28H,5-15H2,1-4H3/t16-,18?,20?,21?,23?,24?,25?,26?,27?/m0/s1.
What are the key properties of (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one?
(6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one has a molecular weight of 426.65 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6'S)-3',6',12,13b-tetramethylspiro[1,2,4,6,7,7a,7b,8,9,11,13,13a-dodecahydroazuleno[2,1-a]quinolizine-10,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one is sourced from PubChem (CID 143831337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).