methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate

C11H19NO2 — CID 177208928

IUPACmethyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate
SMILESCOC(=O)C1(C)CCC2CCCN2C1
InChIInChI=1S/C11H19NO2/c1-11(10(13)14-2)6-5-9-4-3-7-12(9)8-11/h9H,3-8H2,1-2H3
InChIKeyWARNSJBZCJXBRT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds1

About methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate

methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate (PubChem CID 177208928) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate
PubChem CID177208928
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate
SMILESCOC(=O)C1(C)CCC2CCCN2C1
InChIInChI=1S/C11H19NO2/c1-11(10(13)14-2)6-5-9-4-3-7-12(9)8-11/h9H,3-8H2,1-2H3
InChIKeyWARNSJBZCJXBRT-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate with MolForge

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Related Compounds

methyl 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645176
methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate
CID 62977893
methyl 3-methyl-1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylpyrrolidine-3-carboxylate
CID 59416819
methyl 4-iodo-1-methylcyclohexane-1-carboxylate
CID 121364070
methyl 1-hydroxy-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82856905
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
trans-methyl (1S,3R)-3-hydroxy-1-methylcyclopentane-1-carboxylate
CID 99866879
trans-methyl (1R,3S)-3-chloro-1-methylcyclopentane-1-carboxylate
CID 14435921
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate
CID 116999394
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate?
The IUPAC name of methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate (CID 177208928) is methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate.
What is the SMILES notation for methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate?
The canonical SMILES for methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate is COC(=O)C1(C)CCC2CCCN2C1.
What is the InChIKey of methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate?
The InChIKey is WARNSJBZCJXBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(10(13)14-2)6-5-9-4-3-7-12(9)8-11/h9H,3-8H2,1-2H3.
What are the key properties of methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate?
methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2,3,5,7,8,8a-hexahydro-1H-indolizine-6-carboxylate is sourced from PubChem (CID 177208928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).