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

C15H19NO — CID 124645953

IUPAC(2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESC[C@]1(c2ccccc2)C[C@H]2CC(=O)CCN2C1
InChIInChI=1S/C15H19NO/c1-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)11-15/h2-6,13H,7-11H2,1H3/t13-,15+/m1/s1
InChIKeyPRBUHGQJBFTDKW-HIFRSBDPSA-N
MW229.32 g/mol
LogP2.38
Rot. Bonds1

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

(2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one (PubChem CID 124645953) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one.

Molecular Properties

Compound Name(2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
PubChem CID124645953
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one
SMILESC[C@]1(c2ccccc2)C[C@H]2CC(=O)CCN2C1
InChIInChI=1S/C15H19NO/c1-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)11-15/h2-6,13H,7-11H2,1H3/t13-,15+/m1/s1
InChIKeyPRBUHGQJBFTDKW-HIFRSBDPSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine
CID 71320542
3,4,6,7,9,9a-hexahydro-1H-quinolizine-2,8-dione
CID 164802583
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
5-methyl-5-phenylcyclohexane-1,3-dione
CID 21286276
1-benzyl-2-propylpiperidin-4-one
CID 123828340
1-[2-(3-methyl-3-phenylcyclobutyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 10946039
7-methyl-2-(2-methyl-2-phenylpropyl)-7-phenyl-1,2,3,4,6,8,9,9a-octahydroquinolizine
CID 42644375
6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine
CID 58567903
(2S)-1-cyclopropyl-2-phenylpiperidin-4-one
CID 125181070
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
1-ethyl-3-methyl-3-phenylazetidine
CID 23641
3-methyl-3-phenyl-1-propan-2-ylazetidine
CID 121277352

Frequently Asked Questions

What is the IUPAC name of (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The IUPAC name of (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one (CID 124645953) is (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one.
What is the SMILES notation for (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The canonical SMILES for (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one is C[C@]1(c2ccccc2)C[C@H]2CC(=O)CCN2C1.
What is the InChIKey of (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
The InChIKey is PRBUHGQJBFTDKW-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)11-15/h2-6,13H,7-11H2,1H3/t13-,15+/m1/s1.
What are the key properties of (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one?
(2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one has a molecular weight of 229.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8aS)-2-methyl-2-phenyl-1,3,5,6,8,8a-hexahydroindolizin-7-one is sourced from PubChem (CID 124645953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).