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

C25H35NO2 — CID 10809891

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(1R,2S,5R,6R,7S)-2-methyl-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(O4)[C@@H]2C)[C@H](O)C1
InChIInChI=1S/C25H35NO2/c1-16-10-11-19(21(27)14-16)24(3,4)26-15-20-23(18-8-6-5-7-9-18)22-12-13-25(20,28-22)17(26)2/h5-9,12-13,16-17,19-23,27H,10-11,14-15H2,1-4H3/t16-,17+,19-,20+,21-,22+,23+,25+/m1/s1
InChIKeyGAAOPSNAHXNYOE-KCDHQEFOSA-N
MW381.56 g/mol
LogP4.37
Rot. Bonds3

About (1R,2S,5R)-5-methyl-2-[2-[(1R,2S,5R,6R,7S)-2-methyl-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-[(1R,2S,5R,6R,7S)-2-methyl-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 10809891) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(1R,2S,5R,6R,7S)-2-methyl-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-[(1R,2S,5R,6R,7S)-2-methyl-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID10809891
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(1R,2S,5R,6R,7S)-2-methyl-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(O4)[C@@H]2C)[C@H](O)C1
InChIInChI=1S/C25H35NO2/c1-16-10-11-19(21(27)14-16)24(3,4)26-15-20-23(18-8-6-5-7-9-18)22-12-13-25(20,28-22)17(26)2/h5-9,12-13,16-17,19-23,27H,10-11,14-15H2,1-4H3/t16-,17+,19-,20+,21-,22+,23+,25+/m1/s1
InChIKeyGAAOPSNAHXNYOE-KCDHQEFOSA-N
XLogP4.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.37
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-[(1R,2S,5R,6R,7S)-2-methyl-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-[(1R,2S,5R,6R,7S)-2-methyl-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-[(1R,2S,5R,6R,7S)-2-methyl-6-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol (CID 10809891) is (1R,2S,5R)-5-methyl-2-[2-[(1R,2S,5R,6R,7S)-2-methyl-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-[(1R,2S,5R,6R,7S)-2-methyl-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-[(1R,2S,5R,6R,7S)-2-methyl-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(O4)[C@@H]2C)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(1R,2S,5R,6R,7S)-2-methyl-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 GAAOPSNAHXNYOE-KCDHQEFOSA-N. The full InChI is InChI=1S/C25H35NO2/c1-16-10-11-19(21(27)14-16)24(3,4)26-15-20-23(18-8-6-5-7-9-18)22-12-13-25(20,28-22)17(26)2/h5-9,12-13,16-17,19-23,27H,10-11,14-15H2,1-4H3/t16-,17+,19-,20+,21-,22+,23+,25+/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(1R,2S,5R,6R,7S)-2-methyl-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-[(1R,2S,5R,6R,7S)-2-methyl-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 381.56 g/mol, XLogP of 4.37, 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-[(1R,2S,5R,6R,7S)-2-methyl-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 10809891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).