(1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

C16H25NO2 — CID 21457278

IUPAC(1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
SMILESC[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4CC[C@H](O)[C@H]2[C@]34C1
InChIInChI=1S/C16H25NO2/c1-10-7-11-8-14(19)12-3-2-5-17-6-4-13(18)15(11)16(12,17)9-10/h10-13,15,18H,2-9H2,1H3/t10-,11-,12-,13+,15+,16+/m1/s1
InChIKeyQPVQGYVJKIXZFG-AATNOEDMSA-N
MW263.38 g/mol
LogP1.84
Rot. Bonds

About (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

(1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one (PubChem CID 21457278) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one.

Molecular Properties

Compound Name(1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
PubChem CID21457278
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
SMILESC[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4CC[C@H](O)[C@H]2[C@]34C1
InChIInChI=1S/C16H25NO2/c1-10-7-11-8-14(19)12-3-2-5-17-6-4-13(18)15(11)16(12,17)9-10/h10-13,15,18H,2-9H2,1H3/t10-,11-,12-,13+,15+,16+/m1/s1
InChIKeyQPVQGYVJKIXZFG-AATNOEDMSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 6710668
(15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 171345971
(2R,10S,13S,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 11880717
17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one
CID 163056711
[(1S,2R,10R,13R,14S,15R)-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-yl] acetate
CID 162942299
(1R,2R,10S,11S,12S,13R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
CID 14589222
15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
CID 14589221
[(1R,2R,10S,11S,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
CID 162954460
(14-acetyloxy-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) acetate
CID 162921888
(1R,2R,10S,13S,15R)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-5-en-11-one
CID 11065883
(1R,2R,10S,13S,15S)-15-methyl-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 11880716
(1R,10S,11S,12S,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol
CID 24941862

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The IUPAC name of (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one (CID 21457278) is (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one.
What is the SMILES notation for (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The canonical SMILES for (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one is C[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4CC[C@H](O)[C@H]2[C@]34C1.
What is the InChIKey of (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The InChIKey is QPVQGYVJKIXZFG-AATNOEDMSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-7-11-8-14(19)12-3-2-5-17-6-4-13(18)15(11)16(12,17)9-10/h10-13,15,18H,2-9H2,1H3/t10-,11-,12-,13+,15+,16+/m1/s1.
What are the key properties of (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
(1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one has a molecular weight of 263.38 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one is sourced from PubChem (CID 21457278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).