(3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole

C20H23NO2 — CID 10335509

IUPAC(3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
SMILESCN1C[C@@H]2OC(CC(c3ccccc3)c3ccccc3)O[C@@H]2C1
InChIInChI=1S/C20H23NO2/c1-21-13-18-19(14-21)23-20(22-18)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-20H,12-14H2,1H3/t18-,19+,20?
InChIKeyUBZPEAOLXFZTLD-YOFSQIOKSA-N
MW309.41 g/mol
LogP3.26
Rot. Bonds4

About (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole

(3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole (PubChem CID 10335509) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
PubChem CID10335509
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
SMILESCN1C[C@@H]2OC(CC(c3ccccc3)c3ccccc3)O[C@@H]2C1
InChIInChI=1S/C20H23NO2/c1-21-13-18-19(14-21)23-20(22-18)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-20H,12-14H2,1H3/t18-,19+,20?
InChIKeyUBZPEAOLXFZTLD-YOFSQIOKSA-N
XLogP3.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

4-[[2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]morpholine
CID 3542201
1-Methyl-1-{[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl}piperidinium
CID 16188406
4-Benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
CID 127028726
1-({2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)piperidine
CID 3628072
[(2S,4R)-2-benzhydryl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide
CID 76312109
[(2S,4S)-2-benzhydryl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide
CID 76319429
[(2R,4R)-2-benzhydryl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide
CID 76330178
1-Methyl-1-{[2-(1-phenylethyl)-1,3-dioxolan-4-YL]methyl}piperidin-1-ium
CID 4583714
1-[[2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]pyrrolidine
CID 2925243
4-({2-[2-(4-Tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-4-methylmorpholin-4-ium
CID 3697843
1-{[2-(1-Phenylethyl)-1,3-dioxolan-4-yl]methyl}piperidine
CID 3621729
6-(2-Fluorophenyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-b]pyrrole
CID 140359586

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole?
The IUPAC name of (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole (CID 10335509) is (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole?
The canonical SMILES for (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole is CN1C[C@@H]2OC(CC(c3ccccc3)c3ccccc3)O[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole?
The InChIKey is UBZPEAOLXFZTLD-YOFSQIOKSA-N. The full InChI is InChI=1S/C20H23NO2/c1-21-13-18-19(14-21)23-20(22-18)12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-20H,12-14H2,1H3/t18-,19+,20?.
What are the key properties of (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole?
(3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole has a molecular weight of 309.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-(2,2-diphenylethyl)-5-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole is sourced from PubChem (CID 10335509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).