(1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene

C11H13NO — CID 98554059

IUPAC(1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene
SMILESCOC1=N[C@H]2C=CC(C)=C[C@H]1C=C2
InChIInChI=1S/C11H13NO/c1-8-3-5-10-6-4-9(7-8)11(12-10)13-2/h3-7,9-10H,1-2H3/t9-,10+/m1/s1
InChIKeyMHHLDORIHKKQQA-ZJUUUORDSA-N
MW175.23 g/mol
LogP2.10
Rot. Bonds

About (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene

(1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene (PubChem CID 98554059) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene.

Molecular Properties

Compound Name(1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene
PubChem CID98554059
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene
SMILESCOC1=N[C@H]2C=CC(C)=C[C@H]1C=C2
InChIInChI=1S/C11H13NO/c1-8-3-5-10-6-4-9(7-8)11(12-10)13-2/h3-7,9-10H,1-2H3/t9-,10+/m1/s1
InChIKeyMHHLDORIHKKQQA-ZJUUUORDSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene with MolForge

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Related Compounds

(1S,6S)-8-methoxy-9-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene
CID 98554044
(1S,6R)-8-methoxy-9-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene
CID 98554045
methyl-bis(3-methylcyclopenta-2,4-dien-1-yl)silane
CID 162270776
6-methoxy-3-methylcyclohexa-2,4-dien-1-ol
CID 89265152
tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane
CID 140852682
(1R,2S)-4-methylcyclohexa-3,5-diene-1,2-diol
CID 25203479
(1R,2S,5R,8S)-3-methoxy-6-methyl-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene
CID 98554020
6-methyl-4a,8a-dihydrophthalazine
CID 146550838
2,5,7-trimethyl-2H-azepine
CID 142470098
2,5-dimethyl-3a,7a-dihydro-1,3-benzoxazole
CID 59710071
1-deuterio-4-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 134915431
3-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123395946

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene?
The IUPAC name of (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene (CID 98554059) is (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene.
What is the SMILES notation for (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene?
The canonical SMILES for (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene is COC1=N[C@H]2C=CC(C)=C[C@H]1C=C2.
What is the InChIKey of (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene?
The InChIKey is MHHLDORIHKKQQA-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-3-5-10-6-4-9(7-8)11(12-10)13-2/h3-7,9-10H,1-2H3/t9-,10+/m1/s1.
What are the key properties of (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene?
(1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene has a molecular weight of 175.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-8-methoxy-3-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene is sourced from PubChem (CID 98554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).