(5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one

C13H21NO — CID 11171792

IUPAC(5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
SMILESCCC[C@@H]1[C@@H](CC)C(=O)C=C2CCCN21
InChIInChI=1S/C13H21NO/c1-3-6-12-11(4-2)13(15)9-10-7-5-8-14(10)12/h9,11-12H,3-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyQDWBZJBLCLONPJ-VXGBXAGGSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds3

About (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one

(5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one (PubChem CID 11171792) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
PubChem CID11171792
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
SMILESCCC[C@@H]1[C@@H](CC)C(=O)C=C2CCCN21
InChIInChI=1S/C13H21NO/c1-3-6-12-11(4-2)13(15)9-10-7-5-8-14(10)12/h9,11-12H,3-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyQDWBZJBLCLONPJ-VXGBXAGGSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one?
The IUPAC name of (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one (CID 11171792) is (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one.
What is the SMILES notation for (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one?
The canonical SMILES for (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one is CCC[C@@H]1[C@@H](CC)C(=O)C=C2CCCN21.
What is the InChIKey of (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one?
The InChIKey is QDWBZJBLCLONPJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-6-12-11(4-2)13(15)9-10-7-5-8-14(10)12/h9,11-12H,3-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one?
(5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one has a molecular weight of 207.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one is sourced from PubChem (CID 11171792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).