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

C19H31NO2 — CID 10590719

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6R,7R)-6-methyl-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](C)[C@H]4C=C[C@]3(C2)O4)[C@H](O)C1
InChIInChI=1S/C19H31NO2/c1-12-5-6-14(16(21)9-12)18(3,4)20-10-15-13(2)17-7-8-19(15,11-20)22-17/h7-8,12-17,21H,5-6,9-11H2,1-4H3/t12-,13-,14-,15-,16-,17-,19-/m1/s1
InChIKeyYWEZLRVONQPXCM-VVHRTIJYSA-N
MW305.46 g/mol
LogP2.84
Rot. Bonds2

About (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6R,7R)-6-methyl-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,6R,7R)-6-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 10590719) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6R,7R)-6-methyl-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,6R,7R)-6-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID10590719
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6R,7R)-6-methyl-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](C)[C@H]4C=C[C@]3(C2)O4)[C@H](O)C1
InChIInChI=1S/C19H31NO2/c1-12-5-6-14(16(21)9-12)18(3,4)20-10-15-13(2)17-7-8-19(15,11-20)22-17/h7-8,12-17,21H,5-6,9-11H2,1-4H3/t12-,13-,14-,15-,16-,17-,19-/m1/s1
InChIKeyYWEZLRVONQPXCM-VVHRTIJYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 52.84
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,6R,7R)-6-methyl-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,6R,7R)-6-methyl-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,6R,7R)-6-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol (CID 10590719) is (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6R,7R)-6-methyl-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,6R,7R)-6-methyl-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,6R,7R)-6-methyl-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](C)[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,6R,7R)-6-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is YWEZLRVONQPXCM-VVHRTIJYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-12-5-6-14(16(21)9-12)18(3,4)20-10-15-13(2)17-7-8-19(15,11-20)22-17/h7-8,12-17,21H,5-6,9-11H2,1-4H3/t12-,13-,14-,15-,16-,17-,19-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(1S,5S,6R,7R)-6-methyl-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,6R,7R)-6-methyl-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 305.46 g/mol, XLogP of 2.84, 2 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,6R,7R)-6-methyl-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 10590719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).