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

C9H15NO — CID 10866543

IUPAC(5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC[C@@H]1CCC[C@@H]2CCC(=O)N21
InChIInChI=1S/C9H15NO/c1-7-3-2-4-8-5-6-9(11)10(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyFQZBKNYHYBCEIE-HTQZYQBOSA-N
MW153.23 g/mol
LogP1.55
Rot. Bonds

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

(5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 10866543) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID10866543
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESC[C@@H]1CCC[C@@H]2CCC(=O)N21
InChIInChI=1S/C9H15NO/c1-7-3-2-4-8-5-6-9(11)10(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyFQZBKNYHYBCEIE-HTQZYQBOSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 10866543) is (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is C[C@@H]1CCC[C@@H]2CCC(=O)N21.
What is the InChIKey of (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is FQZBKNYHYBCEIE-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-3-2-4-8-5-6-9(11)10(7)8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 153.23 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aR)-5-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 10866543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).