(1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one

C24H25NO3 — CID 135019676

IUPAC(1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one
SMILESO=C1C=C2CN3C[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3[C@H]2C1
InChIInChI=1S/C24H25NO3/c26-20-11-19-13-25-14-22(27-15-17-7-3-1-4-8-17)24(23(25)21(19)12-20)28-16-18-9-5-2-6-10-18/h1-11,21-24H,12-16H2/t21-,22-,23-,24+/m0/s1
InChIKeyOIZOCSRDNPJZQX-NEWJYFPISA-N
MW375.47 g/mol
LogP3.37
Rot. Bonds6

About (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one

(1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one (PubChem CID 135019676) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one.

Molecular Properties

Compound Name(1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one
PubChem CID135019676
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one
SMILESO=C1C=C2CN3C[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3[C@H]2C1
InChIInChI=1S/C24H25NO3/c26-20-11-19-13-25-14-22(27-15-17-7-3-1-4-8-17)24(23(25)21(19)12-20)28-16-18-9-5-2-6-10-18/h1-11,21-24H,12-16H2/t21-,22-,23-,24+/m0/s1
InChIKeyOIZOCSRDNPJZQX-NEWJYFPISA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one with MolForge

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Related Compounds

(1R,2S,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11530497
(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11566573
(1S,6S,7R,8R,8aS)-1,6,7,8-tetrakis(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11124483
(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
CID 175873716
(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
CID 15287282
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one
CID 12501307
(4R,5S)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060614
(4R,5R)-1-benzyl-5-ethyl-4-phenylmethoxypyrrolidin-2-one
CID 101060621
benzyl (2S,3R,4R,5R)-2-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate
CID 53355865
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
(4S,5R)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-one
CID 11087728

Frequently Asked Questions

What is the IUPAC name of (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one?
The IUPAC name of (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one (CID 135019676) is (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one.
What is the SMILES notation for (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one?
The canonical SMILES for (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one is O=C1C=C2CN3C[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3[C@H]2C1.
What is the InChIKey of (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one?
The InChIKey is OIZOCSRDNPJZQX-NEWJYFPISA-N. The full InChI is InChI=1S/C24H25NO3/c26-20-11-19-13-25-14-22(27-15-17-7-3-1-4-8-17)24(23(25)21(19)12-20)28-16-18-9-5-2-6-10-18/h1-11,21-24H,12-16H2/t21-,22-,23-,24+/m0/s1.
What are the key properties of (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one?
(1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one has a molecular weight of 375.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,8aS,8bS)-1,2-bis(phenylmethoxy)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one is sourced from PubChem (CID 135019676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).