(1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol

C24H33NO2 — CID 15418752

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@]3(C2)O4)[C@H](O)C1
InChIInChI=1S/C24H33NO2/c1-16-9-10-18(20(26)13-16)23(2,3)25-14-19-22(17-7-5-4-6-8-17)21-11-12-24(19,15-25)27-21/h4-8,11-12,16,18-22,26H,9-10,13-15H2,1-3H3/t16-,18-,19-,20-,21-,22-,24-/m1/s1
InChIKeyQCHOVBPQYOLSOB-HFUDSESGSA-N
MW367.53 g/mol
LogP3.99
Rot. Bonds3

About (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 15418752) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID15418752
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@]3(C2)O4)[C@H](O)C1
InChIInChI=1S/C24H33NO2/c1-16-9-10-18(20(26)13-16)23(2,3)25-14-19-22(17-7-5-4-6-8-17)21-11-12-24(19,15-25)27-21/h4-8,11-12,16,18-22,26H,9-10,13-15H2,1-3H3/t16-,18-,19-,20-,21-,22-,24-/m1/s1
InChIKeyQCHOVBPQYOLSOB-HFUDSESGSA-N
XLogP3.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol (CID 15418752) is (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@]3(C2)O4)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is QCHOVBPQYOLSOB-HFUDSESGSA-N. The full InChI is InChI=1S/C24H33NO2/c1-16-9-10-18(20(26)13-16)23(2,3)25-14-19-22(17-7-5-4-6-8-17)21-11-12-24(19,15-25)27-21/h4-8,11-12,16,18-22,26H,9-10,13-15H2,1-3H3/t16-,18-,19-,20-,21-,22-,24-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 367.53 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6S,7R)-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 15418752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).