(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol

C15H21NO2 — CID 139492274

IUPAC(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
SMILESC[C@]12CCOCC[C@H](Cc3ccc(O)cc31)[C@H]2N
InChIInChI=1S/C15H21NO2/c1-15-5-7-18-6-4-11(14(15)16)8-10-2-3-12(17)9-13(10)15/h2-3,9,11,14,17H,4-8,16H2,1H3/t11-,14-,15+/m1/s1
InChIKeyGMPMWYXCNHPJTE-DFBGVHRSSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds

About (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol

(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol (PubChem CID 139492274) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
PubChem CID139492274
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
SMILESC[C@]12CCOCC[C@H](Cc3ccc(O)cc31)[C@H]2N
InChIInChI=1S/C15H21NO2/c1-15-5-7-18-6-4-11(14(15)16)8-10-2-3-12(17)9-13(10)15/h2-3,9,11,14,17H,4-8,16H2,1H3/t11-,14-,15+/m1/s1
InChIKeyGMPMWYXCNHPJTE-DFBGVHRSSA-N
XLogP1.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 71577923
[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
CID 153437146
(1R,9S,14R)-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 6602207
(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 70637689
15-amino-1,5-dimethyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492163
(4aS,10aS)-2'-amino-8-hydroxy-3'-methylspiro[1,3,4,4a,5,10a-hexahydrobenzo[g]isochromene-10,5'-imidazole]-4'-one
CID 66831905
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
CID 76961759
(1R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 23986637
(1R,9R,13R)-10-[(1S)-1-cyclopropylethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 86580798
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] 3-(oxetan-3-yl)propanoate
CID 157393240
(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 155036156
(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679265

Frequently Asked Questions

What is the IUPAC name of (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The IUPAC name of (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol (CID 139492274) is (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol is C[C@]12CCOCC[C@H](Cc3ccc(O)cc31)[C@H]2N.
What is the InChIKey of (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The InChIKey is GMPMWYXCNHPJTE-DFBGVHRSSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15-5-7-18-6-4-11(14(15)16)8-10-2-3-12(17)9-13(10)15/h2-3,9,11,14,17H,4-8,16H2,1H3/t11-,14-,15+/m1/s1.
What are the key properties of (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol has a molecular weight of 247.34 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 139492274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).