(1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane

C8H13NO — CID 124727328

IUPAC(1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane
SMILESC1C[C@H]2N[C@H]1[C@H]1CC[C@H]2O1
InChIInChI=1S/C8H13NO/c1-2-6-8-4-3-7(10-8)5(1)9-6/h5-9H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKeyKHWBMJWIRDAUGM-WCTZXXKLSA-N
MW139.20 g/mol
LogP0.67
Rot. Bonds

About (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane

(1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane (PubChem CID 124727328) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane.

Molecular Properties

Compound Name(1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane
PubChem CID124727328
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane
SMILESC1C[C@H]2N[C@H]1[C@H]1CC[C@H]2O1
InChIInChI=1S/C8H13NO/c1-2-6-8-4-3-7(10-8)5(1)9-6/h5-9H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKeyKHWBMJWIRDAUGM-WCTZXXKLSA-N
XLogP0.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane 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

33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetracontane
CID 90995297
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
3,8-dioxatricyclo[3.2.1.02,4]octane
CID 15647432
2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
CID 164705933
7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 130146529
3-methyl-5-(5-methyloxolan-2-yl)morpholine
CID 130533427
10-azatricyclo[5.2.1.02,6]decane
CID 130391694
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(1R,2S,5R,6S)-2,6-diiodo-9-oxabicyclo[3.3.1]nonane
CID 15576128
2-azatricyclo[6.2.0.03,6]decane
CID 53424320

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane?
The IUPAC name of (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane (CID 124727328) is (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane.
What is the SMILES notation for (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane?
The canonical SMILES for (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane is C1C[C@H]2N[C@H]1[C@H]1CC[C@H]2O1.
What is the InChIKey of (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane?
The InChIKey is KHWBMJWIRDAUGM-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-6-8-4-3-7(10-8)5(1)9-6/h5-9H,1-4H2/t5-,6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane?
(1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane has a molecular weight of 139.20 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R)-9-oxa-10-azatricyclo[4.2.1.12,5]decane is sourced from PubChem (CID 124727328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).