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

C11H19NO2 — CID 170938942

IUPAC(7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)O[C@H]1CCN2C(=O)CC[C@@H]2C1
InChIInChI=1S/C11H19NO2/c1-8(2)14-10-5-6-12-9(7-10)3-4-11(12)13/h8-10H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyCSNRXDXWCHNDJL-ZJUUUORDSA-N
MW197.28 g/mol
LogP1.56
Rot. Bonds2

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

(7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 170938942) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID170938942
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)O[C@H]1CCN2C(=O)CC[C@@H]2C1
InChIInChI=1S/C11H19NO2/c1-8(2)14-10-5-6-12-9(7-10)3-4-11(12)13/h8-10H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyCSNRXDXWCHNDJL-ZJUUUORDSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 170938942) is (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(C)O[C@H]1CCN2C(=O)CC[C@@H]2C1.
What is the InChIKey of (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is CSNRXDXWCHNDJL-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)14-10-5-6-12-9(7-10)3-4-11(12)13/h8-10H,3-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aR)-7-propan-2-yloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 170938942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).