2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole

C11H13NO2 — CID 91804990

IUPAC2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)CC(C1OCCO1)N2
InChIInChI=1S/C11H13NO2/c1-2-4-9-8(3-1)7-10(12-9)11-13-5-6-14-11/h1-4,10-12H,5-7H2
InChIKeyKOSJIJGMCPQIET-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.40
Rot. Bonds1

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

2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 91804990) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole
PubChem CID91804990
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)CC(C1OCCO1)N2
InChIInChI=1S/C11H13NO2/c1-2-4-9-8(3-1)7-10(12-9)11-13-5-6-14-11/h1-4,10-12H,5-7H2
InChIKeyKOSJIJGMCPQIET-UHFFFAOYSA-N
XLogP1.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole (CID 91804990) is 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole is c1ccc2c(c1)CC(C1OCCO1)N2.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is KOSJIJGMCPQIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-4-9-8(3-1)7-10(12-9)11-13-5-6-14-11/h1-4,10-12H,5-7H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole?
2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 191.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 91804990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).