2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole

C15H17NO3 — CID 71604947

IUPAC2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole
SMILESCC1(C)O[C@H]2[C@@H](c3cc4ccccc4[nH]3)OC[C@H]2O1
InChIInChI=1S/C15H17NO3/c1-15(2)18-12-8-17-13(14(12)19-15)11-7-9-5-3-4-6-10(9)16-11/h3-7,12-14,16H,8H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyLXICCHCUJGETJP-MGPQQGTHSA-N
MW259.30 g/mol
LogP2.76
Rot. Bonds1

About 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole

2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole (PubChem CID 71604947) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole.

Molecular Properties

Compound Name2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole
PubChem CID71604947
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole
SMILESCC1(C)O[C@H]2[C@@H](c3cc4ccccc4[nH]3)OC[C@H]2O1
InChIInChI=1S/C15H17NO3/c1-15(2)18-12-8-17-13(14(12)19-15)11-7-9-5-3-4-6-10(9)16-11/h3-7,12-14,16H,8H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyLXICCHCUJGETJP-MGPQQGTHSA-N
XLogP2.76
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole 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 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole?
The IUPAC name of 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole (CID 71604947) is 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole.
What is the SMILES notation for 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole?
The canonical SMILES for 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole is CC1(C)O[C@H]2[C@@H](c3cc4ccccc4[nH]3)OC[C@H]2O1.
What is the InChIKey of 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole?
The InChIKey is LXICCHCUJGETJP-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2)18-12-8-17-13(14(12)19-15)11-7-9-5-3-4-6-10(9)16-11/h3-7,12-14,16H,8H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole?
2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole has a molecular weight of 259.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole is sourced from PubChem (CID 71604947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).