(9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine

C12H15NO3 — CID 70696724

IUPAC(9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine
SMILESCOc1ccc(OC)c2c1C1C[C@@H](N)C2O1
InChIInChI=1S/C12H15NO3/c1-14-7-3-4-8(15-2)11-10(7)9-5-6(13)12(11)16-9/h3-4,6,9,12H,5,13H2,1-2H3/t6-,9?,12?/m1/s1
InChIKeyRHPOKPZQQSMKKC-NVSUNWHKSA-N
MW221.26 g/mol
LogP1.55
Rot. Bonds2

About (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine

(9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine (PubChem CID 70696724) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine.

Molecular Properties

Compound Name(9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine
PubChem CID70696724
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine
SMILESCOc1ccc(OC)c2c1C1C[C@@H](N)C2O1
InChIInChI=1S/C12H15NO3/c1-14-7-3-4-8(15-2)11-10(7)9-5-6(13)12(11)16-9/h3-4,6,9,12H,5,13H2,1-2H3/t6-,9?,12?/m1/s1
InChIKeyRHPOKPZQQSMKKC-NVSUNWHKSA-N
XLogP1.55
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine?
The IUPAC name of (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine (CID 70696724) is (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine.
What is the SMILES notation for (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine?
The canonical SMILES for (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine is COc1ccc(OC)c2c1C1C[C@@H](N)C2O1.
What is the InChIKey of (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine?
The InChIKey is RHPOKPZQQSMKKC-NVSUNWHKSA-N. The full InChI is InChI=1S/C12H15NO3/c1-14-7-3-4-8(15-2)11-10(7)9-5-6(13)12(11)16-9/h3-4,6,9,12H,5,13H2,1-2H3/t6-,9?,12?/m1/s1.
What are the key properties of (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine?
(9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine has a molecular weight of 221.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine is sourced from PubChem (CID 70696724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).