methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate

C15H23NO3 — CID 24828220

IUPACmethyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate
SMILESCOC(=O)CCCCC1=CC(=O)N2CCC[C@@]2(C)C1
InChIInChI=1S/C15H23NO3/c1-15-8-5-9-16(15)13(17)10-12(11-15)6-3-4-7-14(18)19-2/h10H,3-9,11H2,1-2H3/t15-/m0/s1
InChIKeyHTZJMBWYPRBOMB-HNNXBMFYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds5

About methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate

methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate (PubChem CID 24828220) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate
PubChem CID24828220
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate
SMILESCOC(=O)CCCCC1=CC(=O)N2CCC[C@@]2(C)C1
InChIInChI=1S/C15H23NO3/c1-15-8-5-9-16(15)13(17)10-12(11-15)6-3-4-7-14(18)19-2/h10H,3-9,11H2,1-2H3/t15-/m0/s1
InChIKeyHTZJMBWYPRBOMB-HNNXBMFYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,10S,11S)-5-oxo-6-azatricyclo[8.3.1.02,6]tetradec-1(13)-ene-11-carboxylate
CID 101203275
Undecyl 6-(1,3-dioxo-3a,4,5,6-tetrahydroisoindol-2-yl)hexanoate
CID 17994531
methyl 4-[(6Z,9Z,10aS)-5-oxo-2,3,8,10a-tetrahydro-1H-pyrrolo[1,2-a]azocin-7-yl]butanoate
CID 44475802
methyl (2R,11S,12S)-5-oxo-6-azatricyclo[9.3.1.02,6]pentadec-1(14)-ene-12-carboxylate
CID 101203261
methyl 5-[(8aS)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-7-yl]pentanoate
CID 101412078
dimethyl (1R,5S)-1-butyl-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 101436373

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate?
The IUPAC name of methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate (CID 24828220) is methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate.
What is the SMILES notation for methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate?
The canonical SMILES for methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate is COC(=O)CCCCC1=CC(=O)N2CCC[C@@]2(C)C1.
What is the InChIKey of methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate?
The InChIKey is HTZJMBWYPRBOMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15-8-5-9-16(15)13(17)10-12(11-15)6-3-4-7-14(18)19-2/h10H,3-9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate?
methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(8aS)-8a-methyl-5-oxo-1,2,3,8-tetrahydroindolizin-7-yl]pentanoate is sourced from PubChem (CID 24828220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).