8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one

C10H15NO2 — CID 138980111

IUPAC8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESCOC12C=C(C)C(=O)N1CCCC2
InChIInChI=1S/C10H15NO2/c1-8-7-10(13-2)5-3-4-6-11(10)9(8)12/h7H,3-6H2,1-2H3
InChIKeyDOUHGUNUBIWXFA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.30
Rot. Bonds1

About 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one

8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one (PubChem CID 138980111) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
PubChem CID138980111
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESCOC12C=C(C)C(=O)N1CCCC2
InChIInChI=1S/C10H15NO2/c1-8-7-10(13-2)5-3-4-6-11(10)9(8)12/h7H,3-6H2,1-2H3
InChIKeyDOUHGUNUBIWXFA-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-3-ethyl-5-methoxy-5-pentylpyrrol-2-one
CID 101422132
(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
CID 132822149

Frequently Asked Questions

What is the IUPAC name of 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one?
The IUPAC name of 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one (CID 138980111) is 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one.
What is the SMILES notation for 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one?
The canonical SMILES for 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one is COC12C=C(C)C(=O)N1CCCC2.
What is the InChIKey of 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one?
The InChIKey is DOUHGUNUBIWXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-7-10(13-2)5-3-4-6-11(10)9(8)12/h7H,3-6H2,1-2H3.
What are the key properties of 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one?
8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one has a molecular weight of 181.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 138980111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).