(1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol

C19H24N2O — CID 6857506

IUPAC(1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol
SMILESO[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2C1
InChIInChI=1S/C19H24N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-14,18,20,22H,5-11H2/t12-,13-,14-,18-/m0/s1
InChIKeyYZHQOLWNBFSHQZ-NUXNZHGMSA-N
MW296.41 g/mol
LogP3.25
Rot. Bonds

About (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol

(1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol (PubChem CID 6857506) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol.

Molecular Properties

Compound Name(1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol
PubChem CID6857506
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol
SMILESO[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2C1
InChIInChI=1S/C19H24N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-14,18,20,22H,5-11H2/t12-,13-,14-,18-/m0/s1
InChIKeyYZHQOLWNBFSHQZ-NUXNZHGMSA-N
XLogP3.25
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol?
The IUPAC name of (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol (CID 6857506) is (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol.
What is the SMILES notation for (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol?
The canonical SMILES for (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol is O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2C1.
What is the InChIKey of (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol?
The InChIKey is YZHQOLWNBFSHQZ-NUXNZHGMSA-N. The full InChI is InChI=1S/C19H24N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-14,18,20,22H,5-11H2/t12-,13-,14-,18-/m0/s1.
What are the key properties of (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol?
(1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol has a molecular weight of 296.41 g/mol, XLogP of 3.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,15R,18S,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol is sourced from PubChem (CID 6857506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).