(7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one

C15H19NO2 — CID 11579641

IUPAC(7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESC[C@H]1[C@H](c2ccccc2)CCN2C(=O)CC[C@]12O
InChIInChI=1S/C15H19NO2/c1-11-13(12-5-3-2-4-6-12)8-10-16-14(17)7-9-15(11,16)18/h2-6,11,13,18H,7-10H2,1H3/t11-,13+,15-/m0/s1
InChIKeyNCXGLJPWPFNPEU-LNSITVRQSA-N
MW245.32 g/mol
LogP2.12
Rot. Bonds1

About (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one

(7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 11579641) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID11579641
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESC[C@H]1[C@H](c2ccccc2)CCN2C(=O)CC[C@]12O
InChIInChI=1S/C15H19NO2/c1-11-13(12-5-3-2-4-6-12)8-10-16-14(17)7-9-15(11,16)18/h2-6,11,13,18H,7-10H2,1H3/t11-,13+,15-/m0/s1
InChIKeyNCXGLJPWPFNPEU-LNSITVRQSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one with MolForge

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Related Compounds

Mitiglinide
CID 121891
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid
CID 3047758
Mitiglinide impurity 23
CID 73265296
1-[(7S,8R,8aS)-7-(hydroxymethyl)-8-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-cyclopentylethanone
CID 118738658
2-Benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionic acid
CID 10734122
(3aS*,7aR*)-5-methyl-2-(5-phenylpentanoyl)octahydro-3aH-pyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 72845144
(3aS*,7aR*)-5-methyl-2-(4-phenylbutanoyl)octahydro-3aH-pyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 72894051
(7R,8R,8aS)-7-(hydroxymethyl)-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 15870485
2-Benzyl-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 82159942
1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid
CID 69404921
(2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
CID 25897907
KAD-1229 Calcium Hydrate
CID 67758547

Frequently Asked Questions

What is the IUPAC name of (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 11579641) is (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one is C[C@H]1[C@H](c2ccccc2)CCN2C(=O)CC[C@]12O.
What is the InChIKey of (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is NCXGLJPWPFNPEU-LNSITVRQSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-13(12-5-3-2-4-6-12)8-10-16-14(17)7-9-15(11,16)18/h2-6,11,13,18H,7-10H2,1H3/t11-,13+,15-/m0/s1.
What are the key properties of (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
(7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one has a molecular weight of 245.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S,8aS)-8a-hydroxy-8-methyl-7-phenyl-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 11579641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).