9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate

C26H22N2O3 — CID 125183653

IUPAC9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C26H22N2O3/c29-24-26(22-11-5-6-12-23(22)27-24)13-14-28(16-26)25(30)31-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,21H,13-16H2,(H,27,29)/t26-/m1/s1
InChIKeyTZYHVQUOZREJRH-AREMUKBSSA-N
MW410.47 g/mol
LogP4.53
Rot. Bonds2

About 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate

9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 125183653) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID125183653
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C26H22N2O3/c29-24-26(22-11-5-6-12-23(22)27-24)13-14-28(16-26)25(30)31-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,21H,13-16H2,(H,27,29)/t26-/m1/s1
InChIKeyTZYHVQUOZREJRH-AREMUKBSSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
CID 130560080
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 3-cyano-3-ethylpyrrolidine-1-carboxylate
CID 172529157
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177006
(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 129369255

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate (CID 125183653) is 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is TZYHVQUOZREJRH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-24-26(22-11-5-6-12-23(22)27-24)13-14-28(16-26)25(30)31-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,21H,13-16H2,(H,27,29)/t26-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate?
9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 125183653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).