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

C15H19NO2 — CID 10421983

IUPAC(6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one
SMILESO=C1CCN2C[C@H](OCc3ccccc3)CC[C@@H]12
InChIInChI=1S/C15H19NO2/c17-15-8-9-16-10-13(6-7-14(15)16)18-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-,14+/m1/s1
InChIKeyWSGPXPGNOUDPPZ-KGLIPLIRSA-N
MW245.32 g/mol
LogP2.01
Rot. Bonds3

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

(6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one (PubChem CID 10421983) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one.

Molecular Properties

Compound Name(6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one
PubChem CID10421983
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one
SMILESO=C1CCN2C[C@H](OCc3ccccc3)CC[C@@H]12
InChIInChI=1S/C15H19NO2/c17-15-8-9-16-10-13(6-7-14(15)16)18-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-,14+/m1/s1
InChIKeyWSGPXPGNOUDPPZ-KGLIPLIRSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one?
The IUPAC name of (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one (CID 10421983) is (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one.
What is the SMILES notation for (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one?
The canonical SMILES for (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one is O=C1CCN2C[C@H](OCc3ccccc3)CC[C@@H]12.
What is the InChIKey of (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one?
The InChIKey is WSGPXPGNOUDPPZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15-8-9-16-10-13(6-7-14(15)16)18-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-,14+/m1/s1.
What are the key properties of (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one?
(6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-6-phenylmethoxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-one is sourced from PubChem (CID 10421983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).