(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C14H19NO — CID 45097545

IUPAC(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)[C@]1(C)C[C@@H](C2)N(C)C1
InChIInChI=1S/C14H19NO/c1-14-8-11(15(2)9-14)6-10-4-5-12(16-3)7-13(10)14/h4-5,7,11H,6,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyQBEWVEXMTZGCAK-BXUZGUMPSA-N
MW217.31 g/mol
LogP2.21
Rot. Bonds1

About (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 45097545) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID45097545
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)[C@]1(C)C[C@@H](C2)N(C)C1
InChIInChI=1S/C14H19NO/c1-14-8-11(15(2)9-14)6-10-4-5-12(16-3)7-13(10)14/h4-5,7,11H,6,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyQBEWVEXMTZGCAK-BXUZGUMPSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 45097545) is (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is COc1ccc2c(c1)[C@]1(C)C[C@@H](C2)N(C)C1.
What is the InChIKey of (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is QBEWVEXMTZGCAK-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H19NO/c1-14-8-11(15(2)9-14)6-10-4-5-12(16-3)7-13(10)14/h4-5,7,11H,6,8-9H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 217.31 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 45097545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).