(3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole

C20H25NO2 — CID 174044276

IUPAC(3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole
SMILESCOC1=CC=C2[C@@H](C)N(C)CC23c2c(C)ccc(OC)c2C[C@@H]13
InChIInChI=1S/C20H25NO2/c1-12-6-8-17(22-4)14-10-16-18(23-5)9-7-15-13(2)21(3)11-20(15,16)19(12)14/h6-9,13,16H,10-11H2,1-5H3/t13-,16+,20?/m1/s1
InChIKeyRXDDNLYQFSFOES-YDCKXFNSSA-N
MW311.43 g/mol
LogP3.22
Rot. Bonds2

About (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole

(3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole (PubChem CID 174044276) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole.

Molecular Properties

Compound Name(3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole
PubChem CID174044276
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole
SMILESCOC1=CC=C2[C@@H](C)N(C)CC23c2c(C)ccc(OC)c2C[C@@H]13
InChIInChI=1S/C20H25NO2/c1-12-6-8-17(22-4)14-10-16-18(23-5)9-7-15-13(2)21(3)11-20(15,16)19(12)14/h6-9,13,16H,10-11H2,1-5H3/t13-,16+,20?/m1/s1
InChIKeyRXDDNLYQFSFOES-YDCKXFNSSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole 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 (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole?
The IUPAC name of (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole (CID 174044276) is (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole.
What is the SMILES notation for (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole?
The canonical SMILES for (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole is COC1=CC=C2[C@@H](C)N(C)CC23c2c(C)ccc(OC)c2C[C@@H]13.
What is the InChIKey of (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole?
The InChIKey is RXDDNLYQFSFOES-YDCKXFNSSA-N. The full InChI is InChI=1S/C20H25NO2/c1-12-6-8-17(22-4)14-10-16-18(23-5)9-7-15-13(2)21(3)11-20(15,16)19(12)14/h6-9,13,16H,10-11H2,1-5H3/t13-,16+,20?/m1/s1.
What are the key properties of (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole?
(3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole has a molecular weight of 311.43 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6aR)-6,8-dimethoxy-2,3,11-trimethyl-1,3,6a,7-tetrahydroindeno[1,2-d]isoindole is sourced from PubChem (CID 174044276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).