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

C15H19NO — CID 102437913

IUPAC(3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESC[C@@H]1CC[C@H]2CC(=O)C[C@@H](c3ccccc3)N21
InChIInChI=1S/C15H19NO/c1-11-7-8-13-9-14(17)10-15(16(11)13)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+,15+/m1/s1
InChIKeyIDIDLYNNOKCAJU-ZLDLUXBVSA-N
MW229.32 g/mol
LogP2.94
Rot. Bonds1

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

(3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (PubChem CID 102437913) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
PubChem CID102437913
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
SMILESC[C@@H]1CC[C@H]2CC(=O)C[C@@H](c3ccccc3)N21
InChIInChI=1S/C15H19NO/c1-11-7-8-13-9-14(17)10-15(16(11)13)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+,15+/m1/s1
InChIKeyIDIDLYNNOKCAJU-ZLDLUXBVSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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CID 125181070
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CID 11333630
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CID 62739442
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CID 69330365
1-methyl-6-phenylpiperidine-2,4-dione
CID 10035783
8-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62843533
1,2-diphenylpiperidin-4-one
CID 56846102
9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714116
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228
(1R,4R,8R,11S)-11-methyl-9-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-one
CID 11665614
(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one
CID 10881427

Frequently Asked Questions

What is the IUPAC name of (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The IUPAC name of (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one (CID 102437913) is (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one.
What is the SMILES notation for (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The canonical SMILES for (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is C[C@@H]1CC[C@H]2CC(=O)C[C@@H](c3ccccc3)N21.
What is the InChIKey of (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
The InChIKey is IDIDLYNNOKCAJU-ZLDLUXBVSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-7-8-13-9-14(17)10-15(16(11)13)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+,15+/m1/s1.
What are the key properties of (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one?
(3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one has a molecular weight of 229.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,8aS)-3-methyl-5-phenyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one is sourced from PubChem (CID 102437913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).