9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate

C26H26N2O3 — CID 118680056

IUPAC9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@]12C=C[C@@H]1CCCN1C2=O
InChIInChI=1S/C26H26N2O3/c29-24-26(14-12-18-7-5-15-27(18)24)13-6-16-28(26)25(30)31-17-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-12,14,18,23H,5-7,13,15-17H2/t18-,26+/m0/s1
InChIKeyQYPSWZSYTITDHO-HFJWLAOPSA-N
MW414.51 g/mol
LogP4.33
Rot. Bonds2

About 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate

9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate (PubChem CID 118680056) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate
PubChem CID118680056
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@]12C=C[C@@H]1CCCN1C2=O
InChIInChI=1S/C26H26N2O3/c29-24-26(14-12-18-7-5-15-27(18)24)13-6-16-28(26)25(30)31-17-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-12,14,18,23H,5-7,13,15-17H2/t18-,26+/m0/s1
InChIKeyQYPSWZSYTITDHO-HFJWLAOPSA-N
XLogP4.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl 8-oxo-1-azaspiro[4.5]decane-1-carboxylate
CID 58574221
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
CID 130560080
9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183653
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl 2,2-dimethyl-3-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate
CID 155632693
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]benzoic acid
CID 154856826
5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid
CID 138991406
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate (CID 118680056) is 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@]12C=C[C@@H]1CCCN1C2=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate?
The InChIKey is QYPSWZSYTITDHO-HFJWLAOPSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-24-26(14-12-18-7-5-15-27(18)24)13-6-16-28(26)25(30)31-17-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-12,14,18,23H,5-7,13,15-17H2/t18-,26+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate?
9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate has a molecular weight of 414.51 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (6R,8aS)-5-oxospiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 118680056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).