3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole

C12H13NO2 — CID 45096876

IUPAC3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole
SMILESCc1cccc2c(C3OCCO3)c[nH]c12
InChIInChI=1S/C12H13NO2/c1-8-3-2-4-9-10(7-13-11(8)9)12-14-5-6-15-12/h2-4,7,12-13H,5-6H2,1H3
InChIKeySUNHWTMHIFMELY-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.52
Rot. Bonds1

About 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole

3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole (PubChem CID 45096876) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole
PubChem CID45096876
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole
SMILESCc1cccc2c(C3OCCO3)c[nH]c12
InChIInChI=1S/C12H13NO2/c1-8-3-2-4-9-10(7-13-11(8)9)12-14-5-6-15-12/h2-4,7,12-13H,5-6H2,1H3
InChIKeySUNHWTMHIFMELY-UHFFFAOYSA-N
XLogP2.52
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole (CID 45096876) is 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole is Cc1cccc2c(C3OCCO3)c[nH]c12.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole?
The InChIKey is SUNHWTMHIFMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-3-2-4-9-10(7-13-11(8)9)12-14-5-6-15-12/h2-4,7,12-13H,5-6H2,1H3.
What are the key properties of 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole?
3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole has a molecular weight of 203.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-7-methyl-1H-indole is sourced from PubChem (CID 45096876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).