(5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C9H15NO2 — CID 11829854

IUPAC(5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCO[C@H]1CCC[C@@H]2CCC(=O)N21
InChIInChI=1S/C9H15NO2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h7,9H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyIWXZVADAUUCDQV-APPZFPTMSA-N
MW169.22 g/mol
LogP1.13
Rot. Bonds1

About (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 11829854) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID11829854
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCO[C@H]1CCC[C@@H]2CCC(=O)N21
InChIInChI=1S/C9H15NO2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h7,9H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyIWXZVADAUUCDQV-APPZFPTMSA-N
XLogP1.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

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(5R,7S,8aR)-5,7-dimethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
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CID 67459886
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Frequently Asked Questions

What is the IUPAC name of (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 11829854) is (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CO[C@H]1CCC[C@@H]2CCC(=O)N21.
What is the InChIKey of (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is IWXZVADAUUCDQV-APPZFPTMSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h7,9H,2-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 169.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 11829854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).