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

C13H21NO2 — CID 71729277

IUPAC(1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
SMILESO=C1CCC[C@H]2C[C@@H](O)CC[C@]23CCCN13
InChIInChI=1S/C13H21NO2/c15-11-5-7-13-6-2-8-14(13)12(16)4-1-3-10(13)9-11/h10-11,15H,1-9H2/t10-,11-,13+/m0/s1
InChIKeyNZMYMPCVWUOLTC-GMXVVIOVSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds

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

(1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one (PubChem CID 71729277) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one.

Molecular Properties

Compound Name(1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
PubChem CID71729277
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
SMILESO=C1CCC[C@H]2C[C@@H](O)CC[C@]23CCCN13
InChIInChI=1S/C13H21NO2/c15-11-5-7-13-6-2-8-14(13)12(16)4-1-3-10(13)9-11/h10-11,15H,1-9H2/t10-,11-,13+/m0/s1
InChIKeyNZMYMPCVWUOLTC-GMXVVIOVSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The IUPAC name of (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one (CID 71729277) is (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one.
What is the SMILES notation for (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The canonical SMILES for (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one is O=C1CCC[C@H]2C[C@@H](O)CC[C@]23CCCN13.
What is the InChIKey of (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The InChIKey is NZMYMPCVWUOLTC-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H21NO2/c15-11-5-7-13-6-2-8-14(13)12(16)4-1-3-10(13)9-11/h10-11,15H,1-9H2/t10-,11-,13+/m0/s1.
What are the key properties of (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
(1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one is sourced from PubChem (CID 71729277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).