methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate

C16H17NO6 — CID 170874336

IUPACmethyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate
SMILESCOC(=O)c1cc(C2OCCO2)n2c(C3OCCO3)cccc12
InChIInChI=1S/C16H17NO6/c1-19-14(18)10-9-13(16-22-7-8-23-16)17-11(10)3-2-4-12(17)15-20-5-6-21-15/h2-4,9,15-16H,5-8H2,1H3
InChIKeyXAOJTOKYOASWOF-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.82
Rot. Bonds3

About methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate

methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate (PubChem CID 170874336) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate
PubChem CID170874336
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Namemethyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate
SMILESCOC(=O)c1cc(C2OCCO2)n2c(C3OCCO3)cccc12
InChIInChI=1S/C16H17NO6/c1-19-14(18)10-9-13(16-22-7-8-23-16)17-11(10)3-2-4-12(17)15-20-5-6-21-15/h2-4,9,15-16H,5-8H2,1H3
InChIKeyXAOJTOKYOASWOF-UHFFFAOYSA-N
XLogP1.82
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-methyl-5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraene-2-carboxylate
CID 10800263
methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate
CID 10935568
methyl 3-bromo-5-(1,3-dioxolan-2-yl)-2-hydroxybenzoate
CID 142693317
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
CID 170874053
methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 821571
methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate
CID 118694017
methyl 1-(oxolan-2-yl)indole-3-carboxylate
CID 122385558
methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate
CID 142606640
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
dimethyl 6-oxocyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 13416679
methyl 3-(2,3-diaminomorpholin-4-yl)benzoate
CID 174774066

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate?
The IUPAC name of methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate (CID 170874336) is methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate.
What is the SMILES notation for methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate?
The canonical SMILES for methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate is COC(=O)c1cc(C2OCCO2)n2c(C3OCCO3)cccc12.
What is the InChIKey of methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate?
The InChIKey is XAOJTOKYOASWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-19-14(18)10-9-13(16-22-7-8-23-16)17-11(10)3-2-4-12(17)15-20-5-6-21-15/h2-4,9,15-16H,5-8H2,1H3.
What are the key properties of methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate?
methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate has a molecular weight of 319.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate is sourced from PubChem (CID 170874336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).