(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one

C14H23NO2 — CID 70679860

IUPAC(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
SMILESC[C@H]1[C@@H](O)CC[C@@]23CCCN2C(=O)CCC[C@@H]13
InChIInChI=1S/C14H23NO2/c1-10-11-4-2-5-13(17)15-9-3-7-14(11,15)8-6-12(10)16/h10-12,16H,2-9H2,1H3/t10-,11+,12+,14-/m1/s1
InChIKeyHEKNRISBWSPMOG-OWTLIXCDSA-N
MW237.34 g/mol
LogP1.94
Rot. Bonds

About (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one

(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one (PubChem CID 70679860) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one.

Molecular Properties

Compound Name(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
PubChem CID70679860
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
SMILESC[C@H]1[C@@H](O)CC[C@@]23CCCN2C(=O)CCC[C@@H]13
InChIInChI=1S/C14H23NO2/c1-10-11-4-2-5-13(17)15-9-3-7-14(11,15)8-6-12(10)16/h10-12,16H,2-9H2,1H3/t10-,11+,12+,14-/m1/s1
InChIKeyHEKNRISBWSPMOG-OWTLIXCDSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The IUPAC name of (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one (CID 70679860) is (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one.
What is the SMILES notation for (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The canonical SMILES for (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one is C[C@H]1[C@@H](O)CC[C@@]23CCCN2C(=O)CCC[C@@H]13.
What is the InChIKey of (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The InChIKey is HEKNRISBWSPMOG-OWTLIXCDSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-11-4-2-5-13(17)15-9-3-7-14(11,15)8-6-12(10)16/h10-12,16H,2-9H2,1H3/t10-,11+,12+,14-/m1/s1.
What are the key properties of (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
(1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one has a molecular weight of 237.34 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,11R,12S)-12-hydroxy-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one is sourced from PubChem (CID 70679860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).