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

C18H29NO2 — CID 10637336

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(1R,5R,7S)-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]3C[C@H]4C=C[C@@]3(C2)O4)[C@H](O)C1
InChIInChI=1S/C18H29NO2/c1-12-4-5-15(16(20)8-12)17(2,3)19-10-13-9-14-6-7-18(13,11-19)21-14/h6-7,12-16,20H,4-5,8-11H2,1-3H3/t12-,13-,14-,15-,16-,18+/m1/s1
InChIKeyCJUMKOQJCJINGB-KKHNULJSSA-N
MW291.44 g/mol
LogP2.59
Rot. Bonds2

About (1R,2S,5R)-5-methyl-2-[2-[(1R,5R,7S)-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,5R,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 10637336) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(1R,5R,7S)-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,5R,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID10637336
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(1R,5R,7S)-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]3C[C@H]4C=C[C@@]3(C2)O4)[C@H](O)C1
InChIInChI=1S/C18H29NO2/c1-12-4-5-15(16(20)8-12)17(2,3)19-10-13-9-14-6-7-18(13,11-19)21-14/h6-7,12-16,20H,4-5,8-11H2,1-3H3/t12-,13-,14-,15-,16-,18+/m1/s1
InChIKeyCJUMKOQJCJINGB-KKHNULJSSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.59
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,5R,7S)-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,5R,7S)-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,5R,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol (CID 10637336) is (1R,2S,5R)-5-methyl-2-[2-[(1R,5R,7S)-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,5R,7S)-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,5R,7S)-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]3C[C@H]4C=C[C@@]3(C2)O4)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(1R,5R,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is CJUMKOQJCJINGB-KKHNULJSSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-4-5-15(16(20)8-12)17(2,3)19-10-13-9-14-6-7-18(13,11-19)21-14/h6-7,12-16,20H,4-5,8-11H2,1-3H3/t12-,13-,14-,15-,16-,18+/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(1R,5R,7S)-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,5R,7S)-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 291.44 g/mol, XLogP of 2.59, 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-[(1R,5R,7S)-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 10637336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).