methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate

C16H18N2O3 — CID 22012067

IUPACmethyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
SMILESCOC(=O)c1c(C)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C16H18N2O3/c1-10-13(16(20)21-2)15-12(19)6-4-8-18(15)14(10)11-5-3-7-17-9-11/h3,5,7,9,12,19H,4,6,8H2,1-2H3
InChIKeyWSEKVWZXSVQGSM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.47
Rot. Bonds2

About methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate

methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate (PubChem CID 22012067) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
PubChem CID22012067
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate
SMILESCOC(=O)c1c(C)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C16H18N2O3/c1-10-13(16(20)21-2)15-12(19)6-4-8-18(15)14(10)11-5-3-7-17-9-11/h3,5,7,9,12,19H,4,6,8H2,1-2H3
InChIKeyWSEKVWZXSVQGSM-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The IUPAC name of methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate (CID 22012067) is methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The canonical SMILES for methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate is COC(=O)c1c(C)c(-c2cccnc2)n2c1C(O)CCC2.
What is the InChIKey of methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
The InChIKey is WSEKVWZXSVQGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-13(16(20)21-2)15-12(19)6-4-8-18(15)14(10)11-5-3-7-17-9-11/h3,5,7,9,12,19H,4,6,8H2,1-2H3.
What are the key properties of methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate?
methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-2-methyl-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carboxylate is sourced from PubChem (CID 22012067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).