3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole

C13H15NO3 — CID 131009926

IUPAC3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole
SMILESCOc1ccc2c(c1)c(C1OCCO1)cn2C
InChIInChI=1S/C13H15NO3/c1-14-8-11(13-16-5-6-17-13)10-7-9(15-2)3-4-12(10)14/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyUREJFJAFFVQOSP-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.23
Rot. Bonds2

About 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole

3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole (PubChem CID 131009926) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole
PubChem CID131009926
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole
SMILESCOc1ccc2c(c1)c(C1OCCO1)cn2C
InChIInChI=1S/C13H15NO3/c1-14-8-11(13-16-5-6-17-13)10-7-9(15-2)3-4-12(10)14/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyUREJFJAFFVQOSP-UHFFFAOYSA-N
XLogP2.23
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole
CID 177391980
3-bromo-5-methoxy-1-methylindole
CID 67003649
methyl N-[(3S,4S)-4-(5-methoxy-1-methylindol-3-yl)-2-oxooxane-3-carbonyl]carbamate
CID 122215087
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
5-methoxy-1-methyl-3-(2-methyloxolan-2-yl)indole
CID 101448637
4-methoxy-6-(5-methoxy-1-methylindol-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 71171577
2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 130785461
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
CID 22106606
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-(5-methoxy-1-methylindol-3-yl)oxan-2-yl]methyl acetate
CID 102151331
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane
CID 141347456
5-methoxy-1-methyl-3-(2-methylpyrrolidin-2-yl)indole
CID 82664697
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole (CID 131009926) is 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole is COc1ccc2c(c1)c(C1OCCO1)cn2C.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole?
The InChIKey is UREJFJAFFVQOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14-8-11(13-16-5-6-17-13)10-7-9(15-2)3-4-12(10)14/h3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole?
3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole has a molecular weight of 233.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole is sourced from PubChem (CID 131009926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).