(1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one

C8H9NO2 — CID 25158909

IUPAC(1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one
SMILESO=C1O[C@@H]2C=C[C@@]3(CCN13)C2
InChIInChI=1S/C8H9NO2/c10-7-9-4-3-8(9)2-1-6(5-8)11-7/h1-2,6H,3-5H2/t6-,8-/m1/s1
InChIKeyQGUXLQRTUQWIIE-HTRCEHHLSA-N
MW151.16 g/mol
LogP0.91
Rot. Bonds

About (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one

(1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one (PubChem CID 25158909) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one.

Molecular Properties

Compound Name(1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one
PubChem CID25158909
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one
SMILESO=C1O[C@@H]2C=C[C@@]3(CCN13)C2
InChIInChI=1S/C8H9NO2/c10-7-9-4-3-8(9)2-1-6(5-8)11-7/h1-2,6H,3-5H2/t6-,8-/m1/s1
InChIKeyQGUXLQRTUQWIIE-HTRCEHHLSA-N
XLogP0.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 15669178
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CID 98162410
(4S,5S)-5-chloro-4-hydroxy-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene-5-carbonitrile
CID 134857213
(1R,8aS)-1-ethyl-8a-methyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 134905834
3-oxo-1-phenyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-8a-carbonitrile
CID 14355226
(3'aR,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydroindene]-1'-one
CID 15896740
3-oxo-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridine-1-carbaldehyde
CID 130035765
(5R)-5-(1-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 166755310
2-(furan-3-yl)-6a,10b-dimethyl-2,4a,5,6,8,10a-hexahydro-1H-benzo[f]isochromene-4,7-dione
CID 162877796
3-[1-(4-bromophenyl)cyclopropyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 162233198
6-[(2,7-dioxo-3-azatricyclo[4.1.0.01,3]heptan-6-yl)diazenyl]-3-azatricyclo[4.1.0.01,3]heptane-2,7-dione
CID 139652017
(4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one
CID 10583525

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one?
The IUPAC name of (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one (CID 25158909) is (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one.
What is the SMILES notation for (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one?
The canonical SMILES for (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one is O=C1O[C@@H]2C=C[C@@]3(CCN13)C2.
What is the InChIKey of (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one?
The InChIKey is QGUXLQRTUQWIIE-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-9-4-3-8(9)2-1-6(5-8)11-7/h1-2,6H,3-5H2/t6-,8-/m1/s1.
What are the key properties of (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one?
(1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one has a molecular weight of 151.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-6-oxa-4-azatricyclo[5.2.1.01,4]dec-8-en-5-one is sourced from PubChem (CID 25158909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).