(1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one

C8H11NO2 — CID 131092096

IUPAC(1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one
SMILESO=C1NC[C@]23OCC[C@H]2C[C@H]13
InChIInChI=1S/C8H11NO2/c10-7-6-3-5-1-2-11-8(5,6)4-9-7/h5-6H,1-4H2,(H,9,10)/t5-,6+,8-/m0/s1
InChIKeyNKIKMQITFYAFCT-BBVRLYRLSA-N
MW153.18 g/mol
LogP-0.09
Rot. Bonds

About (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one

(1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one (PubChem CID 131092096) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one.

Molecular Properties

Compound Name(1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one
PubChem CID131092096
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one
SMILESO=C1NC[C@]23OCC[C@H]2C[C@H]13
InChIInChI=1S/C8H11NO2/c10-7-6-3-5-1-2-11-8(5,6)4-9-7/h5-6H,1-4H2,(H,9,10)/t5-,6+,8-/m0/s1
InChIKeyNKIKMQITFYAFCT-BBVRLYRLSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-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

(1S,5R,7R)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-4-one
CID 18648429
(1R,5S,7R,10S)-10-methyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one
CID 11240710
(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
CID 125180842
(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one
CID 10442331
ethane;5,7,7-trimethyl-3-azabicyclo[3.2.1]octan-2-one
CID 155724694
4-methyl-7,10-dioxa-2-azaspiro[4.6]undecan-3-one
CID 130871125
(1R,9S)-5,5-dimethyl-4,6-dioxa-10-azabicyclo[7.2.0]undecan-11-one
CID 102031109
(9R)-12-bromospiro[3-oxatricyclo[6.2.2.01,6]dodec-11-ene-9,2'-oxirane]-10-one
CID 25060552
2,2,3,3,4-pentamethyloxane
CID 140691979
4-cyclopropyl-4-methylimidazolidin-2-one
CID 105428121
3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one
CID 104679174
(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one
CID 82406616

Frequently Asked Questions

What is the IUPAC name of (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one?
The IUPAC name of (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one (CID 131092096) is (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one.
What is the SMILES notation for (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one?
The canonical SMILES for (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one is O=C1NC[C@]23OCC[C@H]2C[C@H]13.
What is the InChIKey of (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one?
The InChIKey is NKIKMQITFYAFCT-BBVRLYRLSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-6-3-5-1-2-11-8(5,6)4-9-7/h5-6H,1-4H2,(H,9,10)/t5-,6+,8-/m0/s1.
What are the key properties of (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one?
(1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one has a molecular weight of 153.18 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7S)-2-oxa-9-azatricyclo[5.3.0.01,5]decan-8-one is sourced from PubChem (CID 131092096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).