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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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).