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

C8H11NO2 — CID 18648429

IUPAC(1S,5R,7R)-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-/m1/s1
InChIKeyOGHHOBDKSSHGLW-GKROBHDKSA-N
MW153.18 g/mol
LogP0.05
Rot. Bonds

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

(1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one (PubChem CID 18648429) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one.

Molecular Properties

Compound Name(1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
PubChem CID18648429
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1S,5R,7R)-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-/m1/s1
InChIKeyOGHHOBDKSSHGLW-GKROBHDKSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 24982142
(2S,9S)-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one
CID 24982146
2,3,3a,4,5,6,7,7a-Octahydro-4,7-epoxyisoindol-1-one
CID 303413
N-{[rel-(1S,5S,6R,7R)-3-(5-fluoropentyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-6-yl]methyl}cycloheptanecarboxamide formate
CID 166619335
3,14-Dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradecan-8-one
CID 73755830
3-Tert-butyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 73756268
(1R,5S,7S)-6,6-dimethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 21609527
(1R,5S,7S)-3-nitroso-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 18648423
(1R,5S,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 18648424
(1S,5R,7R)-3-nitroso-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 18648428
10-Oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 19774631
(1R,5S,7S,9S)-9-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 57100392

Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The IUPAC name of (1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one (CID 18648429) is (1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one.
What is the SMILES notation for (1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The canonical SMILES for (1S,5R,7R)-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 (1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
The InChIKey is OGHHOBDKSSHGLW-GKROBHDKSA-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-/m1/s1.
What are the key properties of (1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one?
(1S,5R,7R)-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 (1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one is sourced from PubChem (CID 18648429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).