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

C11H19NO — CID 10845124

IUPAC(5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCCC[C@@H]1CCC[C@@H]2CCC(=O)N12
InChIInChI=1S/C11H19NO/c1-2-4-9-5-3-6-10-7-8-11(13)12(9)10/h9-10H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyRMMJNKSVEULGIS-NXEZZACHSA-N
MW181.28 g/mol
LogP2.33
Rot. Bonds2

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

(5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 10845124) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID10845124
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCCC[C@@H]1CCC[C@@H]2CCC(=O)N12
InChIInChI=1S/C11H19NO/c1-2-4-9-5-3-6-10-7-8-11(13)12(9)10/h9-10H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyRMMJNKSVEULGIS-NXEZZACHSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 10845124) is (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CCC[C@@H]1CCC[C@@H]2CCC(=O)N12.
What is the InChIKey of (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is RMMJNKSVEULGIS-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-4-9-5-3-6-10-7-8-11(13)12(9)10/h9-10H,2-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aR)-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 10845124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).