methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate

C13H12ClNO4 — CID 118694017

IUPACmethyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate
SMILESCOC(=O)c1cc(C2OCC2O)n2cccc(Cl)c12
InChIInChI=1S/C13H12ClNO4/c1-18-13(17)7-5-9(12-10(16)6-19-12)15-4-2-3-8(14)11(7)15/h2-5,10,12,16H,6H2,1H3
InChIKeyIBXRIXNXHKEDEY-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.81
Rot. Bonds2

About methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate

methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate (PubChem CID 118694017) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate
PubChem CID118694017
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Namemethyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate
SMILESCOC(=O)c1cc(C2OCC2O)n2cccc(Cl)c12
InChIInChI=1S/C13H12ClNO4/c1-18-13(17)7-5-9(12-10(16)6-19-12)15-4-2-3-8(14)11(7)15/h2-5,10,12,16H,6H2,1H3
InChIKeyIBXRIXNXHKEDEY-UHFFFAOYSA-N
XLogP1.81
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-chloro-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxylate
CID 118693073
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 3,5-bis(1,3-dioxolan-2-yl)indolizine-1-carboxylate
CID 170874336
methyl 8-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254631
methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287162
methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252465
8-chloro-3-cyclobutyl-N-[[(1R,3R)-1-hydroxy-3-methylcyclohexyl]methyl]indolizine-1-carboxamide
CID 118693067
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252222
methyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate
CID 122129607
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252289
methyl 2-chloro-5-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
CID 6542278
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate?
The IUPAC name of methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate (CID 118694017) is methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate.
What is the SMILES notation for methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate?
The canonical SMILES for methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate is COC(=O)c1cc(C2OCC2O)n2cccc(Cl)c12.
What is the InChIKey of methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate?
The InChIKey is IBXRIXNXHKEDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-18-13(17)7-5-9(12-10(16)6-19-12)15-4-2-3-8(14)11(7)15/h2-5,10,12,16H,6H2,1H3.
What are the key properties of methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate?
methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate has a molecular weight of 281.69 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-3-(3-hydroxyoxetan-2-yl)indolizine-1-carboxylate is sourced from PubChem (CID 118694017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).