(1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one

C13H15NO2 — CID 124706355

IUPAC(1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one
SMILESCOc1ccc2c(c1)C(=O)[C@@]1(N)CC[C@H]2C1
InChIInChI=1S/C13H15NO2/c1-16-9-2-3-10-8-4-5-13(14,7-8)12(15)11(10)6-9/h2-3,6,8H,4-5,7,14H2,1H3/t8-,13+/m0/s1
InChIKeyMDTSOKPMXOVAID-ISVAXAHUSA-N
MW217.27 g/mol
LogP1.86
Rot. Bonds1

About (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one

(1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one (PubChem CID 124706355) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one.

Molecular Properties

Compound Name(1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one
PubChem CID124706355
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one
SMILESCOc1ccc2c(c1)C(=O)[C@@]1(N)CC[C@H]2C1
InChIInChI=1S/C13H15NO2/c1-16-9-2-3-10-8-4-5-13(14,7-8)12(15)11(10)6-9/h2-3,6,8H,4-5,7,14H2,1H3/t8-,13+/m0/s1
InChIKeyMDTSOKPMXOVAID-ISVAXAHUSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one with MolForge

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Related Compounds

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6-methoxy-3-(4-methoxyphenyl)-3H-2-benzothiophen-1-one
CID 585576
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
CID 67555902
3-(4-methoxy-2-pyridin-2-ylphenyl)cyclopentan-1-one
CID 135058930
methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 146174124

Frequently Asked Questions

What is the IUPAC name of (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one?
The IUPAC name of (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one (CID 124706355) is (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one.
What is the SMILES notation for (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one?
The canonical SMILES for (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one is COc1ccc2c(c1)C(=O)[C@@]1(N)CC[C@H]2C1.
What is the InChIKey of (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one?
The InChIKey is MDTSOKPMXOVAID-ISVAXAHUSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-9-2-3-10-8-4-5-13(14,7-8)12(15)11(10)6-9/h2-3,6,8H,4-5,7,14H2,1H3/t8-,13+/m0/s1.
What are the key properties of (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one?
(1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one has a molecular weight of 217.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-9-amino-5-methoxytricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one is sourced from PubChem (CID 124706355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).