(1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one

C8H11NO2 — CID 18648424

IUPAC(1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
SMILESO=C1NC[C@@]23CC[C@@H](C[C@H]12)O3
InChIInChI=1S/C8H11NO2/c10-7-6-3-5-1-2-8(6,11-5)4-9-7/h5-6H,1-4H2,(H,9,10)/t5-,6+,8-/m0/s1
InChIKeyOGHHOBDKSSHGLW-BBVRLYRLSA-N
MW153.18 g/mol
LogP0.05
Rot. Bonds

About (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one

(1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one (PubChem CID 18648424) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one.

Molecular Properties

Compound Name(1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
PubChem CID18648424
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
SMILESO=C1NC[C@@]23CC[C@@H](C[C@H]12)O3
InChIInChI=1S/C8H11NO2/c10-7-6-3-5-1-2-8(6,11-5)4-9-7/h5-6H,1-4H2,(H,9,10)/t5-,6+,8-/m0/s1
InChIKeyOGHHOBDKSSHGLW-BBVRLYRLSA-N
XLogP0.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The IUPAC name of (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one (CID 18648424) is (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one.
What is the SMILES notation for (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The canonical SMILES for (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one is O=C1NC[C@@]23CC[C@@H](C[C@H]12)O3.
What is the InChIKey of (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The InChIKey is OGHHOBDKSSHGLW-BBVRLYRLSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-6-3-5-1-2-8(6,11-5)4-9-7/h5-6H,1-4H2,(H,9,10)/t5-,6+,8-/m0/s1.
What are the key properties of (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
(1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one is sourced from PubChem (CID 18648424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).