(3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione

C20H26N2O2 — CID 100579055

IUPAC(3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2[C@H]2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C20H26N2O2/c1-19(2)10-15-11-20(3,12-19)13-21(15)16-9-17(23)22(18(16)24)14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16-,20+/m0/s1
InChIKeyILQWATZCJJEDCN-TWOQFEAHSA-N
MW326.44 g/mol
LogP3.22
Rot. Bonds2

About (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione

(3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione (PubChem CID 100579055) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione
PubChem CID100579055
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione
SMILESCC1(C)C[C@H]2C[C@@](C)(CN2[C@H]2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C20H26N2O2/c1-19(2)10-15-11-20(3,12-19)13-21(15)16-9-17(23)22(18(16)24)14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16-,20+/m0/s1
InChIKeyILQWATZCJJEDCN-TWOQFEAHSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 124717691
1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5130823
1,5-dimethyl-2-phenyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazol-3-one
CID 2846108
(1S,5S)-6-(benzenesulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 124544612
6-(benzenesulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 60639753
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
4-chloro-2-phenyl-5-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyridazin-3-one
CID 2324131
2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 3154303
(3S)-3-[(1S)-1-hydroxybutyl]-1-phenylpyrrolidine-2,5-dione
CID 101392565
1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 134120909
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 680139

Frequently Asked Questions

What is the IUPAC name of (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione (CID 100579055) is (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione is CC1(C)C[C@H]2C[C@@](C)(CN2[C@H]2CC(=O)N(c3ccccc3)C2=O)C1.
What is the InChIKey of (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione?
The InChIKey is ILQWATZCJJEDCN-TWOQFEAHSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-19(2)10-15-11-20(3,12-19)13-21(15)16-9-17(23)22(18(16)24)14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16-,20+/m0/s1.
What are the key properties of (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione?
(3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione has a molecular weight of 326.44 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-phenyl-3-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 100579055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).