(1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one

C16H25NO2 — CID 162908908

IUPAC(1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
SMILESC[C@@H]1C[C@H]2CC(=O)[C@@H]3CCCN4CCC[C@@]23[C@]4(O)C1
InChIInChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13+,15-,16-/m1/s1
InChIKeyZLMYGBDFISIGLH-YCLREWFLSA-N
MW263.38 g/mol
LogP2.19
Rot. Bonds

About (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one

(1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one (PubChem CID 162908908) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one.

Molecular Properties

Compound Name(1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
PubChem CID162908908
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
SMILESC[C@@H]1C[C@H]2CC(=O)[C@@H]3CCCN4CCC[C@@]23[C@]4(O)C1
InChIInChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13+,15-,16-/m1/s1
InChIKeyZLMYGBDFISIGLH-YCLREWFLSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one?
The IUPAC name of (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one (CID 162908908) is (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one.
What is the SMILES notation for (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one?
The canonical SMILES for (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one is C[C@@H]1C[C@H]2CC(=O)[C@@H]3CCCN4CCC[C@@]23[C@]4(O)C1.
What is the InChIKey of (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one?
The InChIKey is ZLMYGBDFISIGLH-YCLREWFLSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13+,15-,16-/m1/s1.
What are the key properties of (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one?
(1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one has a molecular weight of 263.38 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,6S,9R)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one is sourced from PubChem (CID 162908908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).