3-(1,3-dioxolan-2-ylmethyl)-1-methylindole

C13H15NO2 — CID 164672429

IUPAC3-(1,3-dioxolan-2-ylmethyl)-1-methylindole
SMILESCn1cc(CC2OCCO2)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-14-9-10(8-13-15-6-7-16-13)11-4-2-3-5-12(11)14/h2-5,9,13H,6-8H2,1H3
InChIKeyWDQNKFPXMPHOTE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.09
Rot. Bonds2

About 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole

3-(1,3-dioxolan-2-ylmethyl)-1-methylindole (PubChem CID 164672429) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-ylmethyl)-1-methylindole
PubChem CID164672429
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(1,3-dioxolan-2-ylmethyl)-1-methylindole
SMILESCn1cc(CC2OCCO2)c2ccccc21
InChIInChI=1S/C13H15NO2/c1-14-9-10(8-13-15-6-7-16-13)11-4-2-3-5-12(11)14/h2-5,9,13H,6-8H2,1H3
InChIKeyWDQNKFPXMPHOTE-UHFFFAOYSA-N
XLogP2.09
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole 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

2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
2-(1-methyl-1H-indol-3-yl)ethan-1-ol
CID 12247806
tert-butyl 3-(2-hydroxyethyl)-1H-indole-1-carboxylate
CID 15174885
Indolyl-3-ethanol acetate
CID 588705
3-(3-((2-methyl-1,3-dioxolan-2-yl)methyl)-1H-indol-1-yl)propanenitrile
CID 657594
3-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethyl-1H-indole
CID 3427821
2-(1-Methylindol-3-yl)-3-phenylpropan-1-ol
CID 42628294
5-(1,3-dioxolan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 44352376
(2R,3S)-1-[3-(2-hydroxyethyl)indol-1-yl]-2-methyl-4-methylidenenonan-3-ol
CID 57406608
1-(2,2-diethoxyethyl)-1H-indole
CID 22013069
1-[(2-Phenyl-1,3-dioxolan-2-yl)methyl]indole
CID 2057313
8-[(5-Fluoro-1-octyl-indol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 137636274

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole?
The IUPAC name of 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole (CID 164672429) is 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole.
What is the SMILES notation for 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole?
The canonical SMILES for 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole is Cn1cc(CC2OCCO2)c2ccccc21.
What is the InChIKey of 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole?
The InChIKey is WDQNKFPXMPHOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-9-10(8-13-15-6-7-16-13)11-4-2-3-5-12(11)14/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole?
3-(1,3-dioxolan-2-ylmethyl)-1-methylindole has a molecular weight of 217.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-ylmethyl)-1-methylindole is sourced from PubChem (CID 164672429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).