3,8-dimethylindolizine-1-carboxylic acid;ethane

C13H17NO2 — CID 158979472

IUPAC3,8-dimethylindolizine-1-carboxylic acid;ethane
SMILESCC.Cc1cccn2c(C)cc(C(=O)O)c12
InChIInChI=1S/C11H11NO2.C2H6/c1-7-4-3-5-12-8(2)6-9(10(7)12)11(13)14;1-2/h3-6H,1-2H3,(H,13,14);1-2H3
InChIKeyJOUROUOOGBMLAU-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.28
Rot. Bonds1

About 3,8-dimethylindolizine-1-carboxylic acid;ethane

3,8-dimethylindolizine-1-carboxylic acid;ethane (PubChem CID 158979472) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3,8-dimethylindolizine-1-carboxylic acid;ethane.

Molecular Properties

Compound Name3,8-dimethylindolizine-1-carboxylic acid;ethane
PubChem CID158979472
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3,8-dimethylindolizine-1-carboxylic acid;ethane
SMILESCC.Cc1cccn2c(C)cc(C(=O)O)c12
InChIInChI=1S/C11H11NO2.C2H6/c1-7-4-3-5-12-8(2)6-9(10(7)12)11(13)14;1-2/h3-6H,1-2H3,(H,13,14);1-2H3
InChIKeyJOUROUOOGBMLAU-UHFFFAOYSA-N
XLogP3.28
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,8-dimethylindolizine-1-carboxylic acid;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
1-(2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 28541722
acetic acid;1,3-dimethylindolizine;ethane;uranium
CID 160817934
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
CID 162313209
CID 162313209
3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
1-(3,8-dimethylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 84661486
1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84609069
3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254561

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylindolizine-1-carboxylic acid;ethane?
The IUPAC name of 3,8-dimethylindolizine-1-carboxylic acid;ethane (CID 158979472) is 3,8-dimethylindolizine-1-carboxylic acid;ethane.
What is the SMILES notation for 3,8-dimethylindolizine-1-carboxylic acid;ethane?
The canonical SMILES for 3,8-dimethylindolizine-1-carboxylic acid;ethane is CC.Cc1cccn2c(C)cc(C(=O)O)c12.
What is the InChIKey of 3,8-dimethylindolizine-1-carboxylic acid;ethane?
The InChIKey is JOUROUOOGBMLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C2H6/c1-7-4-3-5-12-8(2)6-9(10(7)12)11(13)14;1-2/h3-6H,1-2H3,(H,13,14);1-2H3.
What are the key properties of 3,8-dimethylindolizine-1-carboxylic acid;ethane?
3,8-dimethylindolizine-1-carboxylic acid;ethane has a molecular weight of 219.28 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylindolizine-1-carboxylic acid;ethane is sourced from PubChem (CID 158979472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).