1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine

C19H19NO2 — CID 638821

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine
SMILESc1ccc(-c2cn3ccccc3c2CCC2OCCO2)cc1
InChIInChI=1S/C19H19NO2/c1-2-6-15(7-3-1)17-14-20-11-5-4-8-18(20)16(17)9-10-19-21-12-13-22-19/h1-8,11,14,19H,9-10,12-13H2
InChIKeyDOWXBTXRDPFKFK-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.91
Rot. Bonds4

About 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine

1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine (PubChem CID 638821) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine
PubChem CID638821
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine
SMILESc1ccc(-c2cn3ccccc3c2CCC2OCCO2)cc1
InChIInChI=1S/C19H19NO2/c1-2-6-15(7-3-1)17-14-20-11-5-4-8-18(20)16(17)9-10-19-21-12-13-22-19/h1-8,11,14,19H,9-10,12-13H2
InChIKeyDOWXBTXRDPFKFK-UHFFFAOYSA-N
XLogP3.91
TPSA22.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-((2-methyl-1,3-dioxolan-2-yl)methyl)-1H-indol-1-yl)propanenitrile
CID 657594
8-[(5-Fluoro-1-octyl-indol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 137636274
8-[(4-Fluoro-1-octyl-indol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 137640819
8-[(6-Fluoro-1-octyl-indol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 137651183
8-[[1-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-fluoro-indol-3-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 137658695
6-(3-Indolylmethyl)-7-methyl-1,4-dioxa-7-azaspiro(4,5)-decane
CID 128143
3-(3-((2-methyl-1,3-dioxolan-2-yl)methyl)-1H-indol-1-yl)propanoic acid
CID 933656
1-(1,4-Dioxaspiro[4.5]decan-8-yl)indole
CID 69271159
Toluene-4-sulfonate1-[6-(2-heptadecyl-[1,3]dioxolan-4-ylmethoxy)-hexyl]-quinolinium;Toluene-4-sulfonate
CID 14785934
1-(2-[1,3]dioxolan-2-yl-ethyl)-6-fluoro-3-piperidin-4-yl-1H-indole
CID 17964389
2-(8-Fluoro-1,4-dioxaspiro[4.5]dec-8-yl)-3-methylpyridine
CID 67498612
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-4-fluoroindole
CID 69269414

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine (CID 638821) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine is c1ccc(-c2cn3ccccc3c2CCC2OCCO2)cc1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine?
The InChIKey is DOWXBTXRDPFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-6-15(7-3-1)17-14-20-11-5-4-8-18(20)16(17)9-10-19-21-12-13-22-19/h1-8,11,14,19H,9-10,12-13H2.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine?
1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine has a molecular weight of 293.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-2-phenylindolizine is sourced from PubChem (CID 638821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).